CAS RN: 82318-10-3
CAS Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-4,4-diphenylbutan-2-yl]amino]-3-(4-hydrox
OPENEYE Name: acetic acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3,3-diphenyl-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]ami
IUPAC Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-4,4-diphenylbutan-2-yl]amino]-3-(4-hydrox
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-4,4-diphenyl-butan
MOLECULAR FORMULA: C71H92N16O14
MOLECULAR WEIGHT: 1393.58898
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 82317-95-1
CAS Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-(2,3,4,5,6-penta
OPENEYE Name: acetic acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]ethyl]amino]-
IUPAC Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-(2,3,4,5,6-pentafluoroph
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxida
MOLECULAR FORMULA: C64H80F5N17O15
MOLECULAR WEIGHT: 1422.416916
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=NC=NC6)NC(=O)[C@@H]7CCC(=O)N7.CC(=O)O
Structure:
CAS RN: 82318-11-4
CAS Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-3-(4
OPENEYE Name: acetic acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-
IUPAC Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxidanylidene-
MOLECULAR FORMULA: C70H89N15O14
MOLECULAR WEIGHT: 1364.54776
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 82317-96-2
CAS Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1-naphthalenyl)-1-oxo
OPENEYE Name: acetic acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxypheny
IUPAC Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-napht
MOLECULAR FORMULA: C68H87N17O15
MOLECULAR WEIGHT: 1382.52328
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CC=CC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=NC=NC7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 82318-08-9
CAS Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-(2-naphthalenyl
OPENEYE Name: acetic acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]-methyl-amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydr
IUPAC Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopr
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]
MOLECULAR FORMULA: C69H89N17O15
MOLECULAR WEIGHT: 1396.54986
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)N(C)C(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=NC=NC7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 82375-04-0
CAS Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]amin
OPENEYE Name: acetic acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]-methyl-amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl
IUPAC Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-3-naphthalen-2-yl-1-oxidan
MOLECULAR FORMULA: C69H90N16O14
MOLECULAR WEIGHT: 1367.5517
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=NC=NC7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 82318-07-8
CAS Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-3-(4
OPENEYE Name: acetic acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-
IUPAC Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxidanylidene-
MOLECULAR FORMULA: C68H88N16O14
MOLECULAR WEIGHT: 1353.52512
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=NC=NC7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 82318-00-1
CAS Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1-bromo-2-naphthaleny
OPENEYE Name: acetic acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-[(1-bromo-2-naphthyl)methyl]-2-oxo-ethyl]amino]-1-[(4-hy
IUPAC Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1-bromonaphthalen-2-yl)-1-oxo
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1-br
MOLECULAR FORMULA: C68H86BrN17O15
MOLECULAR WEIGHT: 1461.41934
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=C(C3=CC=CC=C3C=C2)Br)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=NC=NC7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 56377-79-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H43N13O12S6
MOLECULAR WEIGHT: 1222.35702
SMILES: C/C=C\1/C2=NC(=CS2)C(=O)NC3CC(C(=O)OCC4=C5C(=C(C(=O)SCC(C6=NC(=CS6)C7=N/C(=C\8/NC(=CS8)C(=O)NC(=C)C(=O)N)/C(=O)C=C7C9=NC(=CS9)C(=O)NC(C(=O)N1)C(C)O)NC(=O)C1=CSC3=N1)NC5=CC=C4)C)O
Structure:
CAS RN: 11057-08-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H43N13O12S6
MOLECULAR WEIGHT: 1222.35702
SMILES: C/C=C\1/C2=NC(=CS2)C(=O)NC3CC(C(=O)OCC4=C5C(=C(C(=O)SCC(C6=NC(=CS6)C7=N/C(=C\8/NC(=CS8)C(=O)NC(=C)C(=O)N)/C(=O)C=C7C9=NC(=CS9)C(=O)NC(C(=O)N1)C(C)O)NC(=O)C1=CSC3=N1)NC5=CC=C4)C)O
Structure:
CAS RN: 51668-49-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H43N13O12S6
MOLECULAR WEIGHT: 1222.35702
SMILES: C/C=C\1/C2=NC(=CS2)C(=O)NC3CC(C(=O)OCC4=C5C(=C(C(=O)SCC(C6=NC(=CS6)C7=N/C(=C\8/NC(=CS8)C(=O)NC(=C)C(=O)N)/C(=O)C=C7C9=NC(=CS9)C(=O)NC(C(=O)N1)C(C)O)NC(=O)C1=CSC3=N1)NC5=CC=C4)C)O
Structure:
CAS RN: 116962-65-3
CAS Name: (6Z)-4-amino-3-[4-[(2E)-2-[4-(3,5-dihydroxyphenyl)-2-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]phenyl]azo-6-[[4-[(2Z)-2-[4-(3,5-dihydroxyphenyl)-2-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7
OPENEYE Name: (6Z)-4-amino-3-[4-[(2E)-2-[4-(3,5-dihydroxyphenyl)-2-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]phenyl]azo-6-[[4-[(2Z)-2-[4-(3,5-dihydroxyphenyl)-2-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]phenyl]hydrazono]-5-oxo-naphthalene-2,7-disu
IUPAC Name: (6Z)-4-amino-3-[[4-[(2E)-2-[4-(3,5-dihydroxyphenyl)-2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]diazenyl]-6-[[4-[(2Z)-2-[4-(3,5-dihydroxyphenyl)-2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]hydrazinylidene]-5-oxonaphthal
SYSTEMATIC NAME: (6Z)-4-azanyl-3-[[4-[(2E)-2-[4-[3,5-bis(oxidanyl)phenyl]-2-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]diazenyl]-6-[[4-[(2Z)-2-[4-[3,5-bis(oxidanyl)phenyl]-2-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phen
MOLECULAR FORMULA: C46H33N9O15S2
MOLECULAR WEIGHT: 1015.93552
SMILES: C1=CC(=CC=C1N/N=C\2/C(=CC(=CC2=O)C3=CC(=CC(=C3)O)O)O)N/N=C/4\C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=CC=C(C=C6)N/N=C/7\C(=CC(=CC7=O)C8=CC(=CC(=C8)O)O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 11098-84-3
CAS Name: molybdenum; oxoammonium
OPENEYE Name: molybdenum; oxoammonium
IUPAC Name: molybdenum; oxoazanium
SYSTEMATIC NAME: molybdenum; oxidanylideneazanium
MOLECULAR FORMULA: H2MoNO+
MOLECULAR WEIGHT: 127.96198
SMILES: [NH2+]=O.[Mo]
Structure:
CAS RN: 11119-83-8
CAS Name: molybdenum; oxoammonium
OPENEYE Name: molybdenum; oxoammonium
IUPAC Name: molybdenum; oxoazanium
SYSTEMATIC NAME: molybdenum; oxidanylideneazanium
MOLECULAR FORMULA: H2MoNO+
MOLECULAR WEIGHT: 127.96198
SMILES: [NH2+]=O.[Mo]
Structure:
CAS RN: 11128-97-5
CAS Name: molybdenum; oxoammonium
OPENEYE Name: molybdenum; oxoammonium
IUPAC Name: molybdenum; oxoazanium
SYSTEMATIC NAME: molybdenum; oxidanylideneazanium
MOLECULAR FORMULA: H2MoNO+
MOLECULAR WEIGHT: 127.96198
SMILES: [NH2+]=O.[Mo]
Structure:
CAS RN: 12673-54-0
CAS Name: molybdenum; oxoammonium
OPENEYE Name: molybdenum; oxoammonium
IUPAC Name: molybdenum; oxoazanium
SYSTEMATIC NAME: molybdenum; oxidanylideneazanium
MOLECULAR FORMULA: H2MoNO+
MOLECULAR WEIGHT: 127.96198
SMILES: [NH2+]=O.[Mo]
Structure:
CAS RN: 73561-96-3
CAS Name: N-methylcarbamic acid [(E)-3-methylbut-2-enylideneamino] ester
OPENEYE Name: [(E)-3-methylbut-2-enylideneamino] N-methylcarbamate
IUPAC Name: [(E)-3-methylbut-2-enylideneamino] N-methylcarbamate
SYSTEMATIC NAME: [(E)-3-methylbut-2-enylideneamino] N-methylcarbamate
MOLECULAR FORMULA: C7H12N2O2
MOLECULAR WEIGHT: 156.18238
SMILES: CC(=C/C=N/OC(=O)NC)C
Structure:
CAS RN: 141777-20-0
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(2-carboxypropan-2-yloxyimino)-1-oxoethyl]amino]-3-[(E)-3-(5,6-dihydroxy-1-benzimidazolyl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
OPENEYE Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-3-[(E)-3-(5,6-dihydroxybenzimidazol-1-yl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(E)-3-(5,6-dihydroxybenzimidazol-1-yl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[(E)-3-[5,6-bis(oxidanyl)benzimidazol-1-yl]prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
MOLECULAR FORMULA: C26H27N7O9S2
MOLECULAR WEIGHT: 645.66408
SMILES: CC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)CC(CS3)(/C=C/CN4C=NC5=CC(=C(C=C54)O)O)C(=O)O
Structure:
CAS RN: 138302-29-1
CAS Name: 6-(3-methoxypropyl)-7,7-dioxo-4-(propylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
OPENEYE Name: 6-(3-methoxypropyl)-7,7-dioxo-4-(propylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
IUPAC Name: 6-(3-methoxypropyl)-7,7-dioxo-4-(propylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SYSTEMATIC NAME: 6-(3-methoxypropyl)-7,7-bis(oxidanylidene)-4-(propylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
MOLECULAR FORMULA: C14H24N2O5S3
MOLECULAR WEIGHT: 396.54576
SMILES: CCCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC
Structure:
CAS RN: 135696-47-8
CAS Name: N-[5-amino-3-(1-cyclohexa-2,4-dienyl)-2-ethyl-7-pyrido[3,4-b]pyrazinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-yl-2-ethyl-pyrido[3,4-b]pyrazin-7-yl)carbamate
IUPAC Name: ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-yl-2-ethylpyrido[3,4-b]pyrazin-7-yl)carbamate
SYSTEMATIC NAME: ethyl N-(5-azanyl-3-cyclohexa-2,4-dien-1-yl-2-ethyl-pyrido[3,4-b]pyrazin-7-yl)carbamate
MOLECULAR FORMULA: C18H21N5O2
MOLECULAR WEIGHT: 339.39164
SMILES: CCC1=NC2=CC(=NC(=C2N=C1C3CC=CC=C3)N)NC(=O)OCC
Structure:
CAS RN: 135038-52-7
CAS Name: 4-methoxy-7,8-dimethyl-2-pyrano[3,2-c]pyridinone
OPENEYE Name: 4-methoxy-7,8-dimethyl-pyrano[3,2-c]pyridin-2-one
IUPAC Name: 4-methoxy-7,8-dimethylpyrano[3,2-c]pyridin-2-one
SYSTEMATIC NAME: 4-methoxy-7,8-dimethyl-pyrano[3,2-c]pyridin-2-one
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CC1=C2C(=CN=C1C)C(=CC(=O)O2)OC
Structure:
CAS RN: 134646-24-5
CAS Name: 2-(2-hydroperoxy-2-methoxyethyl)benzo[f]isoindole-1,3-dione
OPENEYE Name: 2-(2-hydroperoxy-2-methoxy-ethyl)benzo[f]isoindole-1,3-dione
IUPAC Name: 2-(2-hydroperoxy-2-methoxyethyl)benzo[f]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[2-(dioxidanyl)-2-methoxy-ethyl]benzo[f]isoindole-1,3-dione
MOLECULAR FORMULA: C15H13NO5
MOLECULAR WEIGHT: 287.26742
SMILES: COC(CN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O)OO
Structure:
CAS RN: 128362-26-5
CAS Name: 3-oxododecanoate; propane-1,2,3-triol
OPENEYE Name: glycerol; 3-oxododecanoate
IUPAC Name: 3-oxododecanoate; propane-1,2,3-triol
SYSTEMATIC NAME: 3-oxidanylidenedodecanoate; propane-1,2,3-triol
MOLECULAR FORMULA: C15H29O6-
MOLECULAR WEIGHT: 305.38716
SMILES: CCCCCCCCCC(=O)CC(=O)[O-].C(C(CO)O)O
Structure:
CAS RN: 128331-49-7
CAS Name: 3-oxotetradecanoate; propane-1,2,3-triol
OPENEYE Name: glycerol; 3-oxotetradecanoate
IUPAC Name: 3-oxotetradecanoate; propane-1,2,3-triol
SYSTEMATIC NAME: 3-oxidanylidenetetradecanoate; propane-1,2,3-triol
MOLECULAR FORMULA: C17H33O6-
MOLECULAR WEIGHT: 333.44032
SMILES: CCCCCCCCCCCC(=O)CC(=O)[O-].C(C(CO)O)O
Structure:
CAS RN: 128331-48-6
CAS Name: 3-oxooctanoate; propane-1,2,3-triol
OPENEYE Name: glycerol; 3-oxooctanoate
IUPAC Name: 3-oxooctanoate; propane-1,2,3-triol
SYSTEMATIC NAME: 3-oxidanylideneoctanoate; propane-1,2,3-triol
MOLECULAR FORMULA: C11H21O6-
MOLECULAR WEIGHT: 249.28084
SMILES: CCCCCC(=O)CC(=O)[O-].C(C(CO)O)O
Structure:
CAS RN: 128331-46-4
CAS Name: 3-oxohexadecanoate; propane-1,2,3-triol
OPENEYE Name: glycerol; 3-oxohexadecanoate
IUPAC Name: 3-oxohexadecanoate; propane-1,2,3-triol
SYSTEMATIC NAME: 3-oxidanylidenehexadecanoate; propane-1,2,3-triol
MOLECULAR FORMULA: C19H37O6-
MOLECULAR WEIGHT: 361.49348
SMILES: CCCCCCCCCCCCCC(=O)CC(=O)[O-].C(C(CO)O)O
Structure:
CAS RN: 128331-45-3
CAS Name: 3-oxodecanoate; propane-1,2,3-triol
OPENEYE Name: glycerol; 3-oxodecanoate
IUPAC Name: 3-oxodecanoate; propane-1,2,3-triol
SYSTEMATIC NAME: 3-oxidanylidenedecanoate; propane-1,2,3-triol
MOLECULAR FORMULA: C13H25O6-
MOLECULAR WEIGHT: 277.334
SMILES: CCCCCCCC(=O)CC(=O)[O-].C(C(CO)O)O
Structure:
CAS RN: 163559-06-6
CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Structure:
CAS RN: 18016-58-5
CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Structure:
CAS RN: 27459-82-1
CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Structure:
CAS RN: 28978-01-0
CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Structure:
CAS RN: 29317-64-4
CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Structure:
CAS RN: 642474-43-9
CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
Structure:
CAS RN: 512-65-2
CAS Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxy
IUPAC Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-t
MOLECULAR FORMULA: C24H42O21
MOLECULAR WEIGHT: 666.57768
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O)O
Structure:
CAS RN: 20196-89-8
CAS Name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H20O10
MOLECULAR WEIGHT: 432.3775
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O
Structure:
CAS RN: 92014-75-0
CAS Name: 2-(1-cyclohex-2-enyl)-1,1-dioxo-1,3-thiazin-4-one
OPENEYE Name: 2-cyclohex-2-en-1-yl-1,1-dioxo-1,3-thiazin-4-one
IUPAC Name: 2-cyclohex-2-en-1-yl-1,1-dioxo-1,3-thiazin-4-one
SYSTEMATIC NAME: 2-cyclohex-2-en-1-yl-1,1-bis(oxidanylidene)-1,3-thiazin-4-one
MOLECULAR FORMULA: C10H11NO3S
MOLECULAR WEIGHT: 225.26424
SMILES: C1CC=CC(C1)C2=NC(=O)C=CS2(=O)=O
Structure:
CAS RN: 91564-37-3
CAS Name: 2-methyl-2-(methylamino)-1-propanol benzoate hydrochloride
OPENEYE Name: 2-methyl-2-(methylamino)propan-1-ol benzoate hydrochloride
IUPAC Name: 2-methyl-2-(methylamino)propan-1-ol benzoate hydrochloride
SYSTEMATIC NAME: 2-methyl-2-(methylamino)propan-1-ol benzoate hydrochloride
MOLECULAR FORMULA: C12H19ClNO3-
MOLECULAR WEIGHT: 260.73716
SMILES: CC(C)(CO)NC.C1=CC=C(C=C1)C(=O)[O-].Cl
Structure:
CAS RN: 90712-46-2
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid [[2-(2-amino-1-oxoethoxy)phenyl]-oxomethoxy]methyl ester
OPENEYE Name: [2-(2-aminoacetyl)oxybenzoyl]oxymethyl 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate
IUPAC Name: [2-(2-aminoacetyl)oxybenzoyl]oxymethyl 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate
SYSTEMATIC NAME: [2-(2-azanylethanoyloxy)phenyl]carbonyloxymethyl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate
MOLECULAR FORMULA: C24H26N6O9S2
MOLECULAR WEIGHT: 606.62804
SMILES: CC1(CN2C(C(C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C4=CC=CC=C4OC(=O)CN
Structure:
CAS RN: 90568-80-2
CAS Name: neodymium(3+); (Z)-9-octadecenoate
OPENEYE Name: neodymium(3+); (Z)-octadec-9-enoate
IUPAC Name: neodymium(3+); (Z)-octadec-9-enoate
SYSTEMATIC NAME: neodymium(3+); (Z)-octadec-9-enoate
MOLECULAR FORMULA: C18H33NdO2+2
MOLECULAR WEIGHT: 425.69342
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Nd+3]
Structure:
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