CAS RN: 122127-74-6
CAS Name: 5,7-dihydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(2-hydroxy-4,5-dimethoxy-phenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-(4,5-dimethoxy-2-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O7
MOLECULAR WEIGHT: 330.28886
SMILES: COC1=C(C=C(C(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)OC
Structure:
CAS RN: 122000-99-1
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl
OPENEYE Name: ethyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoate
IUPAC Name: ethyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate
SYSTEMATIC NAME: ethyl (2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoate
MOLECULAR FORMULA: C43H60N12O9
MOLECULAR WEIGHT: 889.0115
SMILES: CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CN=CN4)NC(=O)C
Structure:
CAS RN: 121584-61-0
CAS Name: N-[(2S)-1-[[(2S)-2-[[(2S)-1-cyclohexyl-4,4-difluoro-5-(methylamino)-3,5-dioxopentan-2-yl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-morpholinecarboxamide
OPENEYE Name: N-[(1S)-1-benzyl-2-[[(2S)-2-[[(1S)-1-(cyclohexylmethyl)-3,3-difluoro-4-(methylamino)-2,4-dioxo-butyl]amino]hexanoyl]amino]-2-oxo-ethyl]morpholine-4-carboxamide
IUPAC Name: N-[(2S)-1-[[(2S)-2-[[(2S)-1-cyclohexyl-4,4-difluoro-5-(methylamino)-3,5-dioxopentan-2-yl]amino]hexanoyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[(2S)-2-[[(2S)-1-cyclohexyl-4,4-bis(fluoranyl)-5-(methylamino)-3,5-bis(oxidanylidene)pentan-2-yl]amino]hexanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]morpholine-4-carboxamide
MOLECULAR FORMULA: C32H47F2N5O6
MOLECULAR WEIGHT: 635.742286
SMILES: CCCC[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCOCC2)N[C@@H](CC3CCCCC3)C(=O)C(C(=O)NC)(F)F
Structure:
CAS RN: 120218-55-5
CAS Name: [(3S)-3-[[(2S)-1-[[(2S)-2-amino-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-(diaminomethylideneamino)-2-oxohexyl]-dimethylsulfonium
OPENEYE Name: [(3S)-3-[[(1S)-1-[[(2S)-2-aminopropanoyl]carbamoyl]-4-guanidino-butyl]amino]-6-guanidino-2-oxo-hexyl]-dimethyl-sulfonium
IUPAC Name: [(3S)-3-[[(2S)-1-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-(diaminomethylideneamino)-2-oxohexyl]-dimethylsulfanium
SYSTEMATIC NAME: [(3S)-3-[[(2S)-1-[[(2S)-2-azanylpropanoyl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-6-[bis(azanyl)methylideneamino]-2-oxidanylidene-hexyl]-dimethyl-sulfanium
MOLECULAR FORMULA: C18H38N9O3S+
MOLECULAR WEIGHT: 460.61782
SMILES: C[C@@H](C(=O)NC(=O)[C@H](CCCN=C(N)N)N[C@@H](CCCN=C(N)N)C(=O)C[S+](C)C)N
Structure:
CAS RN: 119730-89-1
CAS Name: 3-[[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C33H40O15
MOLECULAR WEIGHT: 676.6617
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O)O)C4=CC=C(C=C4)OC)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Structure:
CAS RN: 119725-29-0
CAS Name: 3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-1-benzopyran-3-yl]oxy]-2-oxanyl]methoxy]pentanoic acid
OPENEYE Name: 3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-4-oxo-chromen-3-yl]oxy-tetrahydropyran-2-yl]methoxy]pentanoic acid
IUPAC Name: 3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]pentanoic acid
SYSTEMATIC NAME: 5-[[(2R,3S,4S,5R,6S)-6-[7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C29H32O16
MOLECULAR WEIGHT: 636.55478
SMILES: CC(CC(=O)O)(CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC(=C(C=C4)O)OC)O)O)O)O
Structure:
CAS RN: 119625-53-5
CAS Name: (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-(methylthio)-1-oxo-1-[[(2S)-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]-3-phenylpropyl]amino]propan-2-yl]amino]butanoic acid propan-2-yl ester hydrochloride
OPENEYE Name: isopropyl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(1R)-1-(methylsulfanylmethyl)-2-oxo-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]ethyl]amino]butanoate hydrochloride
IUPAC Name: propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-1-oxo-1-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propan-2-yl]amino]butanoate hydrochloride
SYSTEMATIC NAME: propan-2-yl (2R,3S)-4-cyclohexyl-3-[[(2R)-3-methylsulfanyl-1-oxidanylidene-1-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]propan-2-yl]amino]-2-oxidanyl-butanoate hydrochloride
MOLECULAR FORMULA: C31H49ClN4O6S
MOLECULAR WEIGHT: 641.26196
SMILES: CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N[C@@H](CSC)C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3)O.Cl
Structure:
CAS RN: 118776-11-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H33NO7
MOLECULAR WEIGHT: 519.58552
SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=C3C4=C(C[C@@H]5[C@]6([C@]4(CCN5CC7CCC7)[C@@H](O3)[C@H](CC6)O)O)C=C2
Structure:
CAS RN: 117823-37-7
CAS Name: 4-[[(2S)-1-[[(2S)-4-(methylthio)-1-[[(2R)-2-(4-nitroanilino)-1-oxo-3-(phenylmethylthio)propyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[(1S)-2-[[(1S)-1-[[(2R)-3-benzylsulfanyl-2-(4-nitroanilino)propanoyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[(2S)-1-[[(2S)-1-[[(2R)-3-benzylsulfanyl-2-(4-nitroanilino)propanoyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(2S)-1-[[(2S)-4-methylsulfanyl-1-[[(2R)-2-[(4-nitrophenyl)amino]-3-(phenylmethylsulfanyl)propanoyl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C28H35N5O8S2
MOLECULAR WEIGHT: 633.7362
SMILES: C[C@@H](C(=O)N[C@@H](CCSC)C(=O)NC(=O)[C@H](CSCC1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCC(=O)O
Structure:
CAS RN: 117783-82-1
CAS Name: (2R)-6-(1-aminocyclopropyl)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-4-methyl-6-oxo-2-phenylhexanoic acid methyl ester
OPENEYE Name: methyl (2R)-6-(1-aminocyclopropyl)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-4-methyl-6-oxo-2-phenyl-hexanoate
IUPAC Name: methyl (2R)-6-(1-aminocyclopropyl)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-4-methyl-6-oxo-2-phenylhexanoate
SYSTEMATIC NAME: methyl (2R)-6-(1-azanylcyclopropyl)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-4-methyl-6-oxidanylidene-2-phenyl-hexanoate
MOLECULAR FORMULA: C31H41N5O7
MOLECULAR WEIGHT: 595.68654
SMILES: C[C@H](C(=O)NCC(=O)N[C@](CC(C)CC(=O)C1(CC1)N)(C2=CC=CC=C2)C(=O)OC)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 117722-95-9
CAS Name: (2S)-5-amino-2-(N-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-4-nitroanilino)-5-oxopentanoic acid
OPENEYE Name: (2S)-5-amino-2-(N-[(2S)-1-[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-4-nitro-anilino)-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-amino-2-(N-[(2S)-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-4-nitroanilino)-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonyl-(4-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C27H38N6O10
MOLECULAR WEIGHT: 606.62482
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCC(=O)N)C(=O)O)NC(=O)OC(C)(C)C
Structure:
CAS RN: 117306-07-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H80O9
MOLECULAR WEIGHT: 837.1755
SMILES: CCC(=O)O[C@@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@H]2CCC45[C@]3([C@H]6C[C@@H](O4)C[C@@](C6)(C5)O)C)C.CCC(=O)O[C@@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@H]2CCC45[C@]3([C@H]6C[C@@H](O4)C[C@@](C6)(C5)O)C)C.CO
Structure:
CAS RN: 117141-31-8
CAS Name: (E)-2-diazonio-1-[[3-(2-pyridinyldisulfanyl)phenyl]methoxy]ethenolate
OPENEYE Name: (E)-2-diazonio-1-[[3-(2-pyridyldisulfanyl)phenyl]methoxy]ethenolate
IUPAC Name: (E)-2-diazonio-1-[[3-(pyridin-2-yldisulfanyl)phenyl]methoxy]ethenolate
SYSTEMATIC NAME: (E)-2-diazonio-1-[[3-(pyridin-2-yldisulfanyl)phenyl]methoxy]ethenolate
MOLECULAR FORMULA: C14H11N3O2S2
MOLECULAR WEIGHT: 317.38604
SMILES: C1=CC=NC(=C1)SSC2=CC=CC(=C2)CO/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 116764-29-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C53H81N13O8
MOLECULAR WEIGHT: 1028.29254
SMILES: CC(C)C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CC(C)C)C(=O)NC(=O)[C@@H](CC1=CC=CC=C1)N[C@@H]2CCC3([C@@H]4CC5=C6C3([C@@H]2OC6=C(C=C5)O)CCN4CC7CC7)O)N
Structure:
CAS RN: 116183-66-5
CAS Name: 5-hydroxy-7-methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
IUPAC Name: 5-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-7-methoxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C28H32O16
MOLECULAR WEIGHT: 624.54408
SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Structure:
CAS RN: 115834-39-4
CAS Name: (3S)-3-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoeth
OPENEYE Name: (3S)-3-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-hydroxy
IUPAC Name: (3S)-3-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carb
SYSTEMATIC NAME: (3S)-3-[2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2S
MOLECULAR FORMULA: C38H60N12O15
MOLECULAR WEIGHT: 924.9544
SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N)O
Structure:
CAS RN: 115699-80-4
CAS Name: (2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaz
OPENEYE Name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]amino]-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosan
IUPAC Name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-[[(4R,7S,10S,13S,16S,19R)-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-19-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-
MOLECULAR FORMULA: C52H75N17O15S2
MOLECULAR WEIGHT: 1242.3868
SMILES: C[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CC=C(C=C2)O)CC3=CC=CC=C3)CCC(=O)N)CC(=O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)NC(=O)[C@H](CO)N
Structure:
CAS RN: 115664-72-7
CAS Name: 2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-1-oxo-3-phenylpropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
OPENEYE Name: 2-amino-N-[(1S)-1-methyl-2-[[(1S)-1-methyl-2-[[(2S)-2-(4-nitroanilino)-3-phenyl-propanoyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]benzamide
IUPAC Name: 2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: 2-azanyl-N-[(2S)-1-[[(2S)-1-[[(2S)-2-[(4-nitrophenyl)amino]-3-phenyl-propanoyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]benzamide
MOLECULAR FORMULA: C28H30N6O6
MOLECULAR WEIGHT: 546.5744
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3N
Structure:
CAS RN: 113823-66-8
CAS Name: (Z,3S)-6-(diaminomethylideneamino)-1-diazonio-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-1-hexen-2-olate
OPENEYE Name: (Z,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-1-diazonio-6-guanidino-hex-1-en-2-olate
IUPAC Name: (Z,3S)-6-(diaminomethylideneamino)-1-diazonio-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-1-en-2-olate
SYSTEMATIC NAME: (Z,3S)-6-[bis(azanyl)methylideneamino]-1-diazonio-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-1-en-2-olate
MOLECULAR FORMULA: C24H29N7O4
MOLECULAR WEIGHT: 479.53156
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)/C(=C/[N+]#N)/[O-])NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 113784-28-4
CAS Name: (2S)-2-amino-5-[[(2R)-2-[[(2R,3R)-3-methoxy-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[(2R)-2-[[(2R,3R)-3-methoxy-2-methyl-4-oxo-1-sulfo-azetidin-3-yl]amino]propanoyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[(2R)-2-[[(2R,3R)-3-methoxy-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]propanoyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2R)-2-[[(2R,3R)-3-methoxy-2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl]amino]propanoyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C13H22N4O9S
MOLECULAR WEIGHT: 410.40018
SMILES: C[C@@H]1[C@@](C(=O)N1S(=O)(=O)O)(N[C@H](C)C(=O)NC(=O)CC[C@@H](C(=O)O)N)OC
Structure:
CAS RN: 113694-76-1
CAS Name: (2S)-2-[(4-amino-1-oxobutyl)amino]propanoic acid hydrobromide
OPENEYE Name: (2S)-2-(4-aminobutanoylamino)propanoic acid hydrobromide
IUPAC Name: (2S)-2-(4-aminobutanoylamino)propanoic acid hydrobromide
SYSTEMATIC NAME: (2S)-2-(4-azanylbutanoylamino)propanoic acid hydrobromide
MOLECULAR FORMULA: C7H15BrN2O3
MOLECULAR WEIGHT: 255.1096
SMILES: C[C@@H](C(=O)O)NC(=O)CCCN.Br
Structure:
CAS RN: 112859-12-8
CAS Name: 7-[4-(benzenesulfonyl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
OPENEYE Name: 7-[4-(benzenesulfonyl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
IUPAC Name: 7-[4-(benzenesulfonyl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SYSTEMATIC NAME: 7-[4-(phenylsulfonyl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
MOLECULAR FORMULA: C20H19N3O4S
MOLECULAR WEIGHT: 397.44756
SMILES: C1=CC=C(C=C1)S(=O)(=O)CCCCOC2=CC3=CC4=C(NC(=O)N4)N=C3C=C2
Structure:
CAS RN: 111394-11-7
CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-3-(1H-ind
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)p
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(
MOLECULAR FORMULA: C68H112N22O13
MOLECULAR WEIGHT: 1445.75648
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N
Structure:
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