CAS RN: 67906-28-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H19ClN2O4
MOLECULAR WEIGHT: 458.89306
SMILES: CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=C(C(=C24)NC1=O)C)NC5=CC=C(C=C5)Cl
Structure:
CAS RN: 67905-61-7
CAS Name: 1,8-dihydroxy-2,4,5-trinitroanthracene-9,10-dione
OPENEYE Name: 1,8-dihydroxy-2,4,5-trinitro-anthracene-9,10-dione
IUPAC Name: 1,8-dihydroxy-2,4,5-trinitroanthracene-9,10-dione
SYSTEMATIC NAME: 2,4,5-trinitro-1,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H5N3O10
MOLECULAR WEIGHT: 375.2036
SMILES: C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C2=O)C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])O)O
Structure:
CAS RN: 67905-10-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H14N2O5
MOLECULAR WEIGHT: 458.42116
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC5=C6C(=C(C=C5N4)O)C(=O)C7=CC=CC=C7C6=O
Structure:
CAS RN: 67859-76-1
CAS Name: azido(trihexyl)silane
OPENEYE Name: azido(trihexyl)silane
IUPAC Name: azido(trihexyl)silane
SYSTEMATIC NAME: azido(trihexyl)silane
MOLECULAR FORMULA: C18H39N3Si
MOLECULAR WEIGHT: 325.60786
SMILES: CCCCCC[Si](CCCCCC)(CCCCCC)N=[N+]=[N-]
Structure:
CAS RN: 67828-39-1
CAS Name: (2E)-2-amino-2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)acetic acid methyl ester hydrochloride
OPENEYE Name: methyl (2E)-2-amino-2-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)acetate hydrochloride
IUPAC Name: methyl (2E)-2-amino-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)acetate hydrochloride
SYSTEMATIC NAME: methyl (2E)-2-azanyl-2-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethanoate hydrochloride
MOLECULAR FORMULA: C9H10ClNO4
MOLECULAR WEIGHT: 231.633
SMILES: COC(=O)/C(=C\1/C=CC(=O)C=C1O)/N.Cl
Structure:
CAS RN: 67815-68-3
CAS Name: 2-amino-4-chloro-6-nitrophenol hydrochloride
OPENEYE Name: 2-amino-4-chloro-6-nitro-phenol hydrochloride
IUPAC Name: 2-amino-4-chloro-6-nitrophenol hydrochloride
SYSTEMATIC NAME: 2-azanyl-4-chloranyl-6-nitro-phenol hydrochloride
MOLECULAR FORMULA: C6H6Cl2N2O3
MOLECULAR WEIGHT: 225.02944
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)N)Cl.Cl
Structure:
CAS RN: 67815-67-2
CAS Name: 2-amino-4-chloro-5-nitrophenol hydrochloride
OPENEYE Name: 2-amino-4-chloro-5-nitro-phenol hydrochloride
IUPAC Name: 2-amino-4-chloro-5-nitrophenol hydrochloride
SYSTEMATIC NAME: 2-azanyl-4-chloranyl-5-nitro-phenol hydrochloride
MOLECULAR FORMULA: C6H6Cl2N2O3
MOLECULAR WEIGHT: 225.02944
SMILES: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])O)N.Cl
Structure:
CAS RN: 67801-52-9
CAS Name: (6Z)-4-(4-anilinophenyl)azo-6-[(4-anilinophenyl)hydrazinylidene]-3-hydroxy-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-4-(4-anilinophenyl)azo-6-[(4-anilinophenyl)hydrazono]-3-hydroxy-cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-4-[(4-anilinophenyl)diazenyl]-6-[(4-anilinophenyl)hydrazinylidene]-3-hydroxycyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-3-oxidanyl-4-[(4-phenylazanylphenyl)diazenyl]-6-[(4-phenylazanylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C30H24N6O2
MOLECULAR WEIGHT: 500.55056
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N/N=C\3/C=C(C(=CC3=O)O)N=NC4=CC=C(C=C4)NC5=CC=CC=C5
Structure:
CAS RN: 67800-91-3
CAS Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole; ethyl sulfate
OPENEYE Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole; ethyl sulfate
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole; ethyl sulfate
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole; ethyl sulfate
MOLECULAR FORMULA: C24H28N2O4S3
MOLECULAR WEIGHT: 504.68512
SMILES: CCN\1C2=CC=CC=C2S/C1=C\C(=C\C3=[N+](C4=CC=CC=C4S3)CC)\C.CCOS(=O)(=O)[O-]
Structure:
CAS RN: 67763-12-6
CAS Name: 2-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]guanidine
OPENEYE Name: 2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine
IUPAC Name: 2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine
SYSTEMATIC NAME: 2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]guanidine
MOLECULAR FORMULA: C8H10N4O
MOLECULAR WEIGHT: 178.1912
SMILES: C1=C/C(=C\NN=C(N)N)/C(=O)C=C1
Structure:
CAS RN: 67674-21-9
CAS Name: sodium 5-nitro-2-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]benzenesulfonate
OPENEYE Name: sodium 5-nitro-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]anilino]benzenesulfonate
IUPAC Name: sodium 5-nitro-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]anilino]benzenesulfonate
SYSTEMATIC NAME: sodium 5-nitro-2-[[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]amino]benzenesulfonate
MOLECULAR FORMULA: C18H13N4NaO6S
MOLECULAR WEIGHT: 436.37379
SMILES: C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 67627-18-3
CAS Name: tripotassium (2Z)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate
OPENEYE Name: tripotassium (2Z)-3-oxo-2-(3-oxo-5-sulfonato-indolin-2-ylidene)indoline-5,7-disulfonate
IUPAC Name: tripotassium (2Z)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate
SYSTEMATIC NAME: tripotassium (2Z)-3-oxidanylidene-2-(3-oxidanylidene-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5,7-disulfonate
MOLECULAR FORMULA: C16H7K3N2O11S3
MOLECULAR WEIGHT: 616.72348
SMILES: C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)/C(=C/3\C(=O)C4=CC(=CC(=C4N3)S(=O)(=O)[O-])S(=O)(=O)[O-])/N2.[K+].[K+].[K+]
Structure:
CAS RN: 67251-38-1
CAS Name: arsenic(5+); (Z)-4-oxo-2-penten-2-olate; silicon(4+); hexafluoride
OPENEYE Name: arsenic(5+); (Z)-4-oxopent-2-en-2-olate; silicon(4+); hexafluoride
IUPAC Name: arsenic(5+); (Z)-4-oxopent-2-en-2-olate; silicon(4+); hexafluoride
SYSTEMATIC NAME: arsenic(5+); (Z)-4-oxidanylidenepent-2-en-2-olate; silicon(4+); hexafluoride
MOLECULAR FORMULA: C15H21AsF6O6Si
MOLECULAR WEIGHT: 514.321159
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[F-].[F-].[F-].[F-].[F-].[F-].[Si+4].[As+5]
Structure:
CAS RN: 66304-06-1
CAS Name: 1,8-dihydroxy-4,5-bis(hydroxyamino)anthracene-9,10-dione
OPENEYE Name: 1,8-dihydroxy-4,5-bis(hydroxyamino)anthracene-9,10-dione
IUPAC Name: 1,8-dihydroxy-4,5-bis(hydroxyamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1,8-bis(oxidanyl)-4,5-bis(oxidanylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C14H10N2O6
MOLECULAR WEIGHT: 302.239
SMILES: C1=CC(=C2C(=C1NO)C(=O)C3=C(C=CC(=C3C2=O)O)NO)O
Structure:
CAS RN: 66304-05-0
CAS Name: 1,5-dihydroxy-4,8-bis(hydroxyamino)anthracene-9,10-dione
OPENEYE Name: 1,5-dihydroxy-4,8-bis(hydroxyamino)anthracene-9,10-dione
IUPAC Name: 1,5-dihydroxy-4,8-bis(hydroxyamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1,5-bis(oxidanyl)-4,8-bis(oxidanylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C14H10N2O6
MOLECULAR WEIGHT: 302.239
SMILES: C1=CC(=C2C(=C1NO)C(=O)C3=C(C=CC(=C3C2=O)NO)O)O
Structure:
CAS RN: 66256-74-4
CAS Name: disodium (3E)-3-[[4-[[[4-[(2Z)-2-(3-carboxylato-5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]anilino]-oxomethyl]amino]phenyl]hydrazinylidene]-5-methyl-4-oxo-1-cyclohexa-1,5-dienecarboxylate
OPENEYE Name: disodium (3E)-3-[[4-[[4-[(2Z)-2-(3-carboxylato-5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]carbamoylamino]phenyl]hydrazono]-5-methyl-4-oxo-cyclohexa-1,5-diene-1-carboxylate
IUPAC Name: disodium (3E)-3-[[4-[[4-[(2Z)-2-(3-carboxylato-5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-5-methyl-4-oxocyclohexa-1,5-diene-1-carboxylate
SYSTEMATIC NAME: disodium (3E)-3-[[4-[[4-[(2Z)-2-(3-carboxylato-5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-5-methyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate
MOLECULAR FORMULA: C29H22N6Na2O7
MOLECULAR WEIGHT: 612.50052
SMILES: CC1=CC(=C/C(=N\NC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N/N=C\4/C=C(C=C(C4=O)C)C(=O)[O-])/C1=O)C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 66104-64-1
CAS Name: 4-[[2-methoxy-5-methyl-4-(4-nitrophenyl)azophenyl]hydrazinylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[[2-methoxy-5-methyl-4-(4-nitrophenyl)azo-phenyl]hydrazono]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C20H17N5O4
MOLECULAR WEIGHT: 391.38008
SMILES: CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])OC)NN=C3C=CC(=O)C=C3
Structure:
CAS RN: 66085-68-5
CAS Name: (1E)-1-[[2-methyl-4-[[3-methyl-4-[(2Z)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]phenyl]-phenylmethyl]phenyl]hydrazinylidene]-2-naphthalenone
OPENEYE Name: (1E)-1-[[2-methyl-4-[[3-methyl-4-[(2Z)-2-(2-oxo-1-naphthylidene)hydrazino]phenyl]-phenyl-methyl]phenyl]hydrazono]naphthalen-2-one
IUPAC Name: (1E)-1-[[2-methyl-4-[[3-methyl-4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]phenyl]-phenylmethyl]phenyl]hydrazinylidene]naphthalen-2-one
SYSTEMATIC NAME: (1E)-1-[[2-methyl-4-[[3-methyl-4-[(2Z)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]phenyl]-phenyl-methyl]phenyl]hydrazinylidene]naphthalen-2-one
MOLECULAR FORMULA: C41H32N4O2
MOLECULAR WEIGHT: 612.71838
SMILES: CC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=CC(=C(C=C3)N/N=C\4/C(=O)C=CC5=CC=CC=C54)C)N/N=C/6\C(=O)C=CC7=CC=CC=C76
Structure:
CAS RN: 66037-07-8
CAS Name: 1-(4-cyanophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
OPENEYE Name: 1-(4-cyanophenyl)-3-(2-hydroxy-4-nitro-phenyl)urea
IUPAC Name: 1-(4-cyanophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
SYSTEMATIC NAME: 1-(4-cyanophenyl)-3-(4-nitro-2-oxidanyl-phenyl)urea
MOLECULAR FORMULA: C14H10N4O4
MOLECULAR WEIGHT: 298.2536
SMILES: C1=CC(=CC=C1C#N)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O
Structure:
CAS RN: 52435-06-0
CAS Name: N-[(2S)-1-[[(2S)-1-[[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-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-
OPENEYE Name: N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-ox
IUPAC Name: N-[(2S)-1-[[(2S)-1-[[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-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-
SYSTEMATIC NAME: N-[(2S)-1-[[(2S)-1-[[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-propan-2-yl]amino]-3-(4-hydr
MOLECULAR FORMULA: C56H78N16O12
MOLECULAR WEIGHT: 1167.31852
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6
Structure:
CAS RN: 53818-13-6
CAS Name: N-[(2S)-1-[[(2S)-1-[[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-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-
OPENEYE Name: N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-ox
IUPAC Name: N-[(2S)-1-[[(2S)-1-[[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-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-
SYSTEMATIC NAME: N-[(2S)-1-[[(2S)-1-[[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-propan-2-yl]amino]-3-(4-hydr
MOLECULAR FORMULA: C56H78N16O12
MOLECULAR WEIGHT: 1167.31852
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6
Structure:
CAS RN: 56136-33-5
CAS Name: N-[(2S)-1-[[(2S)-1-[[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-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-
OPENEYE Name: N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-ox
IUPAC Name: N-[(2S)-1-[[(2S)-1-[[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-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-
SYSTEMATIC NAME: N-[(2S)-1-[[(2S)-1-[[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-propan-2-yl]amino]-3-(4-hydr
MOLECULAR FORMULA: C56H78N16O12
MOLECULAR WEIGHT: 1167.31852
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6
Structure:
CAS RN: 67910-55-8
CAS Name: N-[(2S)-1-[[(2S)-1-[[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-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-
OPENEYE Name: N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-ox
IUPAC Name: N-[(2S)-1-[[(2S)-1-[[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-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-
SYSTEMATIC NAME: N-[(2S)-1-[[(2S)-1-[[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-propan-2-yl]amino]-3-(4-hydr
MOLECULAR FORMULA: C56H78N16O12
MOLECULAR WEIGHT: 1167.31852
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6
Structure:
CAS RN: 20290-09-9
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MOLECULAR FORMULA: C23H27NO9
MOLECULAR WEIGHT: 461.46178
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3[C@H](C=C4)O
Structure:
CAS RN: 180683-37-8
CAS Name: (2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-(3-pyridinylmethyl)-2-piperazinecarboxamide hydrate
OPENEYE Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide hydrate
IUPAC Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide hydrate
SYSTEMATIC NAME: (2S)-N-tert-butyl-1-[(2S,4R)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide hydrate
MOLECULAR FORMULA: C36H49N5O5
MOLECULAR WEIGHT: 631.80476
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.O
Structure:
CAS RN: 87679-37-6
CAS Name: (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
OPENEYE Name: (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
IUPAC Name: (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
SYSTEMATIC NAME: (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
MOLECULAR FORMULA: C24H34N2O5
MOLECULAR WEIGHT: 430.53716
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O
Structure:
CAS RN: 32215-02-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H10O6
MOLECULAR WEIGHT: 298.247
SMILES: C1CC(=O)C2=C1C3=C(C=C4C(=C3OC2=O)[C@@H]5C=CO[C@@H]5O4)O
Structure:
CAS RN: 72795-19-8
CAS Name: (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)-2-butanol
OPENEYE Name: (2R,3S)-3-(isopropylamino)-1-(7-methylindan-4-yl)oxy-butan-2-ol
IUPAC Name: (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
SYSTEMATIC NAME: (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
MOLECULAR FORMULA: C17H27NO2
MOLECULAR WEIGHT: 277.40178
SMILES: CC1=C2CCCC2=C(C=C1)OC[C@@H]([C@H](C)NC(C)C)O
Structure:
CAS RN: 53987-32-9
CAS Name: N-(2-amino-4-nitrophenyl)acetamide
OPENEYE Name: N-(2-amino-4-nitro-phenyl)acetamide
IUPAC Name: N-(2-amino-4-nitrophenyl)acetamide
SYSTEMATIC NAME: N-(2-azanyl-4-nitro-phenyl)ethanamide
MOLECULAR FORMULA: C8H9N3O3
MOLECULAR WEIGHT: 195.17536
SMILES: CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])N
Structure:
CAS RN: 53749-20-5
CAS Name: chromium(3+); (Z)-5-oxo-3-hepten-3-olate
OPENEYE Name: chromic (Z)-5-oxohept-3-en-3-olate
IUPAC Name: chromium(3+); (Z)-5-oxohept-3-en-3-olate
SYSTEMATIC NAME: chromium(3+); (Z)-5-oxidanylidenehept-3-en-3-olate
MOLECULAR FORMULA: C21H33CrO6
MOLECULAR WEIGHT: 433.47922
SMILES: CC/C(=C/C(=O)CC)/[O-].CC/C(=C/C(=O)CC)/[O-].CC/C(=C/C(=O)CC)/[O-].[Cr+3]
Structure:
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