CAS RN: 82824-08-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C95H112Cl4N5O21+
MOLECULAR WEIGHT: 1801.73868
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.C[N+]1([C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC
Structure:
CAS RN: 79985-35-6
CAS Name: (2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminom
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pent
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneam
MOLECULAR FORMULA: C69H114N22O14
MOLECULAR WEIGHT: 1475.78246
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 78527-81-8
CAS Name: (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]-6-[[(4-azidophenyl)-oxomethyl]amino]-
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[[(1S)-1-[[(1S)-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-5-[(4-azidobenzoyl)amino]pentyl]amino]-1-[(4-hydroxyphenyl)methyl]-
IUPAC Name: (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]-6-[(4-azidobenzoyl)amino]-1-oxohexan-2-yl]ami
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]-6-[(4-a
MOLECULAR FORMULA: C66H87N21O14
MOLECULAR WEIGHT: 1398.52928
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](CCCCNC(=O)C2=CC=C(C=C2)N=[N+]=[N-])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=CN=CN6)NC(=O)[C@@H]7CCC(=O)N7
Structure:
CAS RN: 121897-31-2
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-(2-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-(2-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-2-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=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=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 144949-01-9
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]amino]-3-(2-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-(2-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-2-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=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=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 76932-60-0
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-(2-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-(2-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-2-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=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=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 78115-72-7
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-(2-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-(2-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-2-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=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=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 63722-14-5
CAS Name: (2S)-N-[(2R)-1-[[(2R)-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-phenylpropan-2-yl]amino]-3-(4
OPENEYE Name: (2S)-N-[(1R)-2-[[(1R)-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-benzyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]ami
IUPAC Name: (2S)-N-[(2R)-1-[[(2R)-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-phenylpropan-2-yl]amino]-3-(4-hydroxy
SYSTEMATIC NAME: (2S)-N-[(2R)-1-[[(2R)-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: C65H83N15O13
MOLECULAR WEIGHT: 1282.44722
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=CC=C2)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=CC=CC=C6)NC(=O)[C@@H]7CCC(=O)N7
Structure:
CAS RN: 57521-78-5
CAS Name: (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-phenylpropan-2-yl]amino]-3-(4
OPENEYE Name: (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-benzyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]ami
IUPAC Name: (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-phenylpropan-2-yl]amino]-3-(4-hydroxy
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: C62H81N17O13
MOLECULAR WEIGHT: 1272.41264
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=CC=C2)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=CN=CN6)NC(=O)[C@@H]7CCC(=O)N7
Structure:
CAS RN: 135447-36-8
CAS Name: (2S)-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-
OPENEYE Name: (2S)-N-[(1S)-3-amino-1-[[(1S)-1-[(2S)-2-[[(1S)-1-[[(1S)-2-amino-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-oxo-propyl]-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[(2-p
IUPAC Name: (2S)-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-
SYSTEMATIC NAME: (2S)-N-[(2S)-4-azanyl-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-azanyl-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene
MOLECULAR FORMULA: C62H83N17O13
MOLECULAR WEIGHT: 1274.42852
SMILES: COC1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)O)NC(=O)CC5=CC=CC=C5
Structure:
CAS RN: 132309-52-5
CAS Name: (3S)-3-[[(2S,3S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-amino-3-cyclohexyl-1-oxopropyl]imino-1-oxoethyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-2-[[(2
OPENEYE Name: (3S)-3-[[(2S,3S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-amino-3-cyclohexyl-propanoyl]iminoacetyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1S)-1-[[(1R)-2-[[(2R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl
IUPAC Name: (3S)-3-[[(2S,3S)-2-[[(2S)-2-[[2-[[2-[(2S)-2-amino-3-cyclohexylpropanoyl]iminoacetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-2-[[(2S)-2-amino-5-(diami
SYSTEMATIC NAME: (3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-penta
MOLECULAR FORMULA: C68H116N26O15S2
MOLECULAR WEIGHT: 1601.94384
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C=NC(=O)[C@H](CC2CCCCC2)
Structure:
CAS RN: 126675-53-4
CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-amino-4-carboxy-1-oxobutyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]am
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-amino-4-carboxy-butanoyl]amino]acetyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-amino-4-carboxybutanoyl]amino]acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypr
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-butanoyl]pyrrolidin-2-yl]car
MOLECULAR FORMULA: C76H132N20O26
MOLECULAR WEIGHT: 1741.97968
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H
Structure:
CAS RN: 126050-12-2
CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-
OPENEYE Name: (3S)-3-amino-4-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1R)-2-[[(1R)-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]am
IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-met
MOLECULAR FORMULA: C57H68N14O10
MOLECULAR WEIGHT: 1109.23762
SMILES: CC(C)[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 64153-06-6
CAS Name: N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[[(2S)-1-ethyl-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphen
OPENEYE Name: benzyl N-[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-benzyl-2-[[(1S)-1-[[(1S)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-
IUPAC Name: benzyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyph
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-ethylpyrrolidin-2-yl]carbonylamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanyli
MOLECULAR FORMULA: C64H84N14O13
MOLECULAR WEIGHT: 1257.43776
SMILES: CCN1CCC[C@H]1C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)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](CCC(=O)N)NC(=O)OCC6=CC=CC=C6
Structure:
CAS RN: 51707-29-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C79H98N6O26
MOLECULAR WEIGHT: 1547.64802
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NNC(=O)CC(=O)NN/C=C/5\C6=C(C7=C(C(=C8C(=C7C5=O)C(=O)C(O8)(O/C=C\C(C(C(C(C(C(C(C(/C=C\C=C(/C(=O)N6)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 191792-70-8
CAS Name: 4-(2-ethyl-8-iodo-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl)benzoic acid methyl ester
OPENEYE Name: methyl 4-(2-ethyl-8-iodo-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl)benzoate
IUPAC Name: methyl 4-(2-ethyl-8-iodo-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl)benzoate
SYSTEMATIC NAME: methyl 4-(2-ethyl-8-iodanyl-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl)benzoate
MOLECULAR FORMULA: C23H26INO2
MOLECULAR WEIGHT: 475.36251
SMILES: CCN1CCC2C(C1)C3=CC(=C(C=C3C2C4=CC=C(C=C4)C(=O)OC)C)I
Structure:
CAS RN: 191792-66-2
CAS Name: 4-(2-ethyl-8-iodo-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl)benzoic acid
OPENEYE Name: 4-(2-ethyl-8-iodo-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl)benzoic acid
IUPAC Name: 4-(2-ethyl-8-iodo-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl)benzoic acid
SYSTEMATIC NAME: 4-(2-ethyl-8-iodanyl-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl)benzoic acid
MOLECULAR FORMULA: C22H24INO2
MOLECULAR WEIGHT: 461.33593
SMILES: CCN1CCC2C(C1)C3=CC(=C(C=C3C2C4=CC=C(C=C4)C(=O)O)C)I
Structure:
CAS RN: 180423-63-6
CAS Name: N-(2-heptoxyphenyl)carbamic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride
OPENEYE Name: quinuclidin-1-ium-3-yl N-(2-heptoxyphenyl)carbamate chloride
IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl N-(2-heptoxyphenyl)carbamate chloride
SYSTEMATIC NAME: 1-azoniabicyclo[2.2.2]octan-3-yl N-(2-heptoxyphenyl)carbamate chloride
MOLECULAR FORMULA: C21H33ClN2O3
MOLECULAR WEIGHT: 396.95132
SMILES: CCCCCCCOC1=CC=CC=C1NC(=O)OC2C[NH+]3CCC2CC3.[Cl-]
Structure:
CAS RN: 180423-62-5
CAS Name: N-(2-hexoxyphenyl)carbamic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride
OPENEYE Name: quinuclidin-1-ium-3-yl N-(2-hexoxyphenyl)carbamate chloride
IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl N-(2-hexoxyphenyl)carbamate chloride
SYSTEMATIC NAME: 1-azoniabicyclo[2.2.2]octan-3-yl N-(2-hexoxyphenyl)carbamate chloride
MOLECULAR FORMULA: C20H31ClN2O3
MOLECULAR WEIGHT: 382.92474
SMILES: CCCCCCOC1=CC=CC=C1NC(=O)OC2C[NH+]3CCC2CC3.[Cl-]
Structure:
CAS RN: 180423-61-4
CAS Name: N-(2-butoxyphenyl)carbamic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride
OPENEYE Name: quinuclidin-1-ium-3-yl N-(2-butoxyphenyl)carbamate chloride
IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl N-(2-butoxyphenyl)carbamate chloride
SYSTEMATIC NAME: 1-azoniabicyclo[2.2.2]octan-3-yl N-(2-butoxyphenyl)carbamate chloride
MOLECULAR FORMULA: C18H27ClN2O3
MOLECULAR WEIGHT: 354.87158
SMILES: CCCCOC1=CC=CC=C1NC(=O)OC2C[NH+]3CCC2CC3.[Cl-]
Structure:
CAS RN: 180423-60-3
CAS Name: N-(2-pentoxyphenyl)carbamic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride
OPENEYE Name: quinuclidin-1-ium-3-yl N-(2-pentoxyphenyl)carbamate chloride
IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl N-(2-pentoxyphenyl)carbamate chloride
SYSTEMATIC NAME: 1-azoniabicyclo[2.2.2]octan-3-yl N-(2-pentoxyphenyl)carbamate chloride
MOLECULAR FORMULA: C19H29ClN2O3
MOLECULAR WEIGHT: 368.89816
SMILES: CCCCCOC1=CC=CC=C1NC(=O)OC2C[NH+]3CCC2CC3.[Cl-]
Structure:
CAS RN: 175614-89-8
CAS Name: 10-fluoro-7,12-dimethylbenzo[a]anthracene-3,4-diol
OPENEYE Name: 10-fluoro-7,12-dimethyl-benzo[a]anthracene-3,4-diol
IUPAC Name: 10-fluoro-7,12-dimethylbenzo[a]anthracene-3,4-diol
SYSTEMATIC NAME: 10-fluoranyl-7,12-dimethyl-benzo[a]anthracene-3,4-diol
MOLECULAR FORMULA: C20H15FO2
MOLECULAR WEIGHT: 306.330303
SMILES: CC1=C2C=CC(=CC2=C(C3=C1C=CC4=C3C=CC(=C4O)O)C)F
Structure:
CAS RN: 175614-88-7
CAS Name: 9-fluoro-7,12-dimethylbenzo[a]anthracene-3,4-diol
OPENEYE Name: 9-fluoro-7,12-dimethyl-benzo[a]anthracene-3,4-diol
IUPAC Name: 9-fluoro-7,12-dimethylbenzo[a]anthracene-3,4-diol
SYSTEMATIC NAME: 9-fluoranyl-7,12-dimethyl-benzo[a]anthracene-3,4-diol
MOLECULAR FORMULA: C20H15FO2
MOLECULAR WEIGHT: 306.330303
SMILES: CC1=C2C=CC(=CC2=C(C3=C1C4=C(C=C3)C(=C(C=C4)O)O)C)F
Structure:
CAS RN: 175614-87-6
CAS Name: 10-fluoro-12-methylbenzo[a]anthracene-3,4-diol
OPENEYE Name: 10-fluoro-12-methyl-benzo[a]anthracene-3,4-diol
IUPAC Name: 10-fluoro-12-methylbenzo[a]anthracene-3,4-diol
SYSTEMATIC NAME: 10-fluoranyl-12-methyl-benzo[a]anthracene-3,4-diol
MOLECULAR FORMULA: C19H13FO2
MOLECULAR WEIGHT: 292.303723
SMILES: CC1=C2C(=CC3=C1C=C(C=C3)F)C=CC4=C2C=CC(=C4O)O
Structure:
CAS RN: 175614-86-5
CAS Name: 9-fluoro-12-methylbenzo[a]anthracene-3,4-diol
OPENEYE Name: 9-fluoro-12-methyl-benzo[a]anthracene-3,4-diol
IUPAC Name: 9-fluoro-12-methylbenzo[a]anthracene-3,4-diol
SYSTEMATIC NAME: 9-fluoranyl-12-methyl-benzo[a]anthracene-3,4-diol
MOLECULAR FORMULA: C19H13FO2
MOLECULAR WEIGHT: 292.303723
SMILES: CC1=C2C(=CC3=C1C=CC(=C3)F)C=CC4=C2C=CC(=C4O)O
Structure:
CAS RN: 175614-85-4
CAS Name: 12-methylbenzo[a]anthracene-3,4-diol
OPENEYE Name: 12-methylbenzo[a]anthracene-3,4-diol
IUPAC Name: 12-methylbenzo[a]anthracene-3,4-diol
SYSTEMATIC NAME: 12-methylbenzo[a]anthracene-3,4-diol
MOLECULAR FORMULA: C19H14O2
MOLECULAR WEIGHT: 274.31326
SMILES: CC1=C2C(=CC3=CC=CC=C13)C=CC4=C2C=CC(=C4O)O
Structure:
CAS RN: 175614-84-3
CAS Name: 10-fluoro-7-methylbenzo[a]anthracene-3,4-diol
OPENEYE Name: 10-fluoro-7-methyl-benzo[a]anthracene-3,4-diol
IUPAC Name: 10-fluoro-7-methylbenzo[a]anthracene-3,4-diol
SYSTEMATIC NAME: 10-fluoranyl-7-methyl-benzo[a]anthracene-3,4-diol
MOLECULAR FORMULA: C19H13FO2
MOLECULAR WEIGHT: 292.303723
SMILES: CC1=C2C=CC(=CC2=CC3=C1C=CC4=C3C=CC(=C4O)O)F
Structure:
CAS RN: 175614-83-2
CAS Name: 9-fluoro-7-methylbenzo[a]anthracene-3,4-diol
OPENEYE Name: 9-fluoro-7-methyl-benzo[a]anthracene-3,4-diol
IUPAC Name: 9-fluoro-7-methylbenzo[a]anthracene-3,4-diol
SYSTEMATIC NAME: 9-fluoranyl-7-methyl-benzo[a]anthracene-3,4-diol
MOLECULAR FORMULA: C19H13FO2
MOLECULAR WEIGHT: 292.303723
SMILES: CC1=C2C=C(C=CC2=CC3=C1C=CC4=C3C=CC(=C4O)O)F
Structure:
CAS RN: 156810-63-8
CAS Name: N,N-dimethyl-2-(5-pyrazino[2,3-b]indolyl)ethanamine
OPENEYE Name: N,N-dimethyl-2-pyrazino[2,3-b]indol-5-yl-ethanamine
IUPAC Name: N,N-dimethyl-2-pyrazino[2,3-b]indol-5-ylethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-pyrazino[2,3-b]indol-5-yl-ethanamine
MOLECULAR FORMULA: C14H16N4
MOLECULAR WEIGHT: 240.30364
SMILES: CN(C)CCN1C2=CC=CC=C2C3=NC=CN=C31
Structure:
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