CAS RN: 474-40-8
CAS Name: (3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,4S,5S,9R,10S,13R,14R,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C)O)C)C)\C(C)C
Structure:
CAS RN: 516-90-5
CAS Name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]ethanesulfonate
OPENEYE Name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
IUPAC Name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
SYSTEMATIC NAME: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
MOLECULAR FORMULA: C26H44NO5S-
MOLECULAR WEIGHT: 482.69626
SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
Structure:
CAS RN: 72705-01-2
CAS Name: N-methoxy-2-methyl-1-propanimine
OPENEYE Name: N-methoxy-2-methyl-propan-1-imine
IUPAC Name: N-methoxy-2-methylpropan-1-imine
SYSTEMATIC NAME: N-methoxy-2-methyl-propan-1-imine
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: CC(C)/C=N/OC
Structure:
CAS RN: 954-27-8
CAS Name: 3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinecarboxylic acid
OPENEYE Name: 3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridine-4-carboxylic acid
IUPAC Name: 3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridine-4-carboxylic acid
MOLECULAR FORMULA: C8H10NO7P
MOLECULAR WEIGHT: 263.141261
SMILES: CC1=NC=C(C(=C1O)C(=O)O)COP(=O)(O)O
Structure:
CAS RN: 18706-39-3
CAS Name: 2-(trifluoromethyl)-4-quinolinecarboxylic acid
OPENEYE Name: 2-(trifluoromethyl)quinoline-4-carboxylic acid
IUPAC Name: 2-(trifluoromethyl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-(trifluoromethyl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C11H6F3NO2
MOLECULAR WEIGHT: 241.16605
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)C(=O)O
Structure:
CAS RN: 71761-06-3
CAS Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
OPENEYE Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C29H48O
MOLECULAR WEIGHT: 412.69082
SMILES: CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)C(C)C
Structure:
CAS RN: 144699-06-9
CAS Name: (1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]cyclohex-4-ene-1,3-diol
OPENEYE Name: (1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]vinyl]cyclohex-4-ene-1,3-diol
IUPAC Name: (1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]cyclohex-4-ene-1,3-diol
SYSTEMATIC NAME: (1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]cyclohex-4-ene-1,3-diol
MOLECULAR FORMULA: C26H42O3
MOLECULAR WEIGHT: 402.60988
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC=C2/C=C\C3=C[C@H](C[C@@H](C3)O)O)C
Structure:
CAS RN: 71204-89-2
CAS Name: (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
OPENEYE Name: (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
IUPAC Name: (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
SYSTEMATIC NAME: (3R)-3-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
MOLECULAR FORMULA: C23H34O4
MOLECULAR WEIGHT: 374.51366
SMILES: C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 465-21-4
CAS Name: 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
OPENEYE Name: 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
IUPAC Name: 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H34O4
MOLECULAR WEIGHT: 386.52436
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O
Structure:
CAS RN: 57331-04-1
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(3R)-3-methyl-2-propan-2-yl-1-cyclopropenyl]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-2-[(3R)-2-isopropyl-3-methyl-cyclopropen-1-yl]-1-methyl-ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(3R)-3-methyl-2-propan-2-ylcyclopropen-1-yl]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(3R)-3-methyl-2-propan-2-yl-cyclopropen-1-yl]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H46O
MOLECULAR WEIGHT: 410.67494
SMILES: C[C@@H]1C(=C1C(C)C)C[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
Structure:
CAS RN: 80164-20-1
CAS Name: decanoic acid [(2R)-2-(1-oxodecoxy)-3-phosphonooxypropyl] ester
OPENEYE Name: [(2R)-2-decanoyloxy-3-phosphonooxy-propyl] decanoate
IUPAC Name: [(2R)-2-decanoyloxy-3-phosphonooxypropyl] decanoate
SYSTEMATIC NAME: [(2R)-2-decanoyloxy-3-phosphonooxy-propyl] decanoate
MOLECULAR FORMULA: C23H45O8P
MOLECULAR WEIGHT: 480.572361
SMILES: CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC
Structure:
CAS RN: 94086-57-4
CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [2-[(9Z,12Z,15Z)-1-oxooctadeca-9,12,15-trienoxy]-3-phosphonooxypropyl] ester
OPENEYE Name: [2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxy-propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
IUPAC Name: [2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SYSTEMATIC NAME: [2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxy-propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
MOLECULAR FORMULA: C39H65O8P
MOLECULAR WEIGHT: 692.902361
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Structure:
CAS RN: 127999-30-8
CAS Name: (Z)-9-octadecenedioic acid
OPENEYE Name: (Z)-octadec-9-enedioic acid
IUPAC Name: (Z)-octadec-9-enedioic acid
SYSTEMATIC NAME: (Z)-octadec-9-enedioic acid
MOLECULAR FORMULA: C18H32O4
MOLECULAR WEIGHT: 312.44428
SMILES: C(CCC/C=C\CCCCCCCC(=O)O)CCCC(=O)O
Structure:
CAS RN: 20701-68-2
CAS Name: (Z)-9-octadecenedioic acid
OPENEYE Name: (Z)-octadec-9-enedioic acid
IUPAC Name: (Z)-octadec-9-enedioic acid
SYSTEMATIC NAME: (Z)-octadec-9-enedioic acid
MOLECULAR FORMULA: C18H32O4
MOLECULAR WEIGHT: 312.44428
SMILES: C(CCC/C=C\CCCCCCCC(=O)O)CCCC(=O)O
Structure:
CAS RN: 110199-17-2
CAS Name: (4R)-4-(phenylmethyl)-2-thiazolidinethione
OPENEYE Name: (4R)-4-benzylthiazolidine-2-thione
IUPAC Name: (4R)-4-benzyl-1,3-thiazolidine-2-thione
SYSTEMATIC NAME: (4R)-4-(phenylmethyl)-1,3-thiazolidine-2-thione
MOLECULAR FORMULA: C10H11NS2
MOLECULAR WEIGHT: 209.33104
SMILES: C1[C@H](NC(=S)S1)CC2=CC=CC=C2
Structure:
CAS RN: 149648-52-2
CAS Name: 8-anilino-8-oxooctanoic acid
OPENEYE Name: 8-anilino-8-oxo-octanoic acid
IUPAC Name: 8-anilino-8-oxooctanoic acid
SYSTEMATIC NAME: 8-oxidanylidene-8-phenylazanyl-octanoic acid
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)O
Structure:
CAS RN: 1404-64-4
CAS Name: (E)-N-[(2S)-1-hydroxy-3-[(R)-(methylthio)methylsulfinyl]propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-2-propenamide
OPENEYE Name: (E)-N-[(1S)-1-(hydroxymethyl)-2-[(R)-methylsulfanylmethylsulfinyl]ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
IUPAC Name: (E)-N-[(2S)-1-hydroxy-3-[(R)-methylsulfanylmethylsulfinyl]propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N-[(2S)-1-[(R)-methylsulfanylmethylsulfinyl]-3-oxidanyl-propan-2-yl]prop-2-enamide
MOLECULAR FORMULA: C13H19N3O5S2
MOLECULAR WEIGHT: 361.43706
SMILES: CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC
Structure:
CAS RN: 23109-05-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H54N10O14S
MOLECULAR WEIGHT: 918.96966
SMILES: CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O
Structure:
CAS RN: 72945-11-0
CAS Name: (2E,4E)-2,4-dichlorohexa-2,4-dienedioate
OPENEYE Name: (2E,4E)-2,4-dichlorohexa-2,4-dienedioate
IUPAC Name: (2E,4E)-2,4-dichlorohexa-2,4-dienedioate
SYSTEMATIC NAME: (2E,4E)-2,4-bis(chloranyl)hexa-2,4-dienedioate
MOLECULAR FORMULA: C6H2Cl2O4-2
MOLECULAR WEIGHT: 208.98368
SMILES: C(=C(\C=C(/C(=O)[O-])\Cl)/Cl)\C(=O)[O-]
Structure:
CAS RN: 109138-72-9
CAS Name: 3-hydroxy-5-oxohexanoate
OPENEYE Name: 3-hydroxy-5-oxo-hexanoate
IUPAC Name: 3-hydroxy-5-oxohexanoate
SYSTEMATIC NAME: 3-oxidanyl-5-oxidanylidene-hexanoate
MOLECULAR FORMULA: C6H9O4-
MOLECULAR WEIGHT: 145.13326
SMILES: CC(=O)CC(CC(=O)[O-])O
Structure:
CAS RN: 19420-61-2
CAS Name: 2,3-dihydroxy-4-propan-2-ylbenzoate
OPENEYE Name: 2,3-dihydroxy-4-isopropyl-benzoate
IUPAC Name: 2,3-dihydroxy-4-propan-2-ylbenzoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)-4-propan-2-yl-benzoate
MOLECULAR FORMULA: C10H11O4-
MOLECULAR WEIGHT: 195.19194
SMILES: CC(C)C1=C(C(=C(C=C1)C(=O)[O-])O)O
Structure:
CAS RN: 926-61-4
CAS Name: 3-oxopropanoate
OPENEYE Name: 3-oxopropanoate
IUPAC Name: 3-oxopropanoate
SYSTEMATIC NAME: 3-oxidanylidenepropanoate
MOLECULAR FORMULA: C3H3O3-
MOLECULAR WEIGHT: 87.05412
SMILES: C(C=O)C(=O)[O-]
Structure:
CAS RN: 7244-95-3
CAS Name: (2E,4Z)-2-hydroxy-6-oxohepta-2,4-dienoate
OPENEYE Name: (2E,4Z)-2-hydroxy-6-oxo-hepta-2,4-dienoate
IUPAC Name: (2E,4Z)-2-hydroxy-6-oxohepta-2,4-dienoate
SYSTEMATIC NAME: (2E,4Z)-2-oxidanyl-6-oxidanylidene-hepta-2,4-dienoate
MOLECULAR FORMULA: C7H7O4-
MOLECULAR WEIGHT: 155.12808
SMILES: CC(=O)/C=C\C=C(/C(=O)[O-])\O
Structure:
CAS RN: 205652-50-2
CAS Name: (5S,6R)-5,6-dihydroxy-4-propan-2-yl-1-cyclohexa-1,3-dienecarboxylate
OPENEYE Name: (5S,6R)-5,6-dihydroxy-4-isopropyl-cyclohexa-1,3-diene-1-carboxylate
IUPAC Name: (5S,6R)-5,6-dihydroxy-4-propan-2-ylcyclohexa-1,3-diene-1-carboxylate
SYSTEMATIC NAME: (5S,6R)-5,6-bis(oxidanyl)-4-propan-2-yl-cyclohexa-1,3-diene-1-carboxylate
MOLECULAR FORMULA: C10H13O4-
MOLECULAR WEIGHT: 197.20782
SMILES: CC(C)C1=CC=C([C@H]([C@H]1O)O)C(=O)[O-]
Structure:
CAS RN: 54439-75-7
CAS Name: 2-chloro-4-methoxybenzaldehyde
OPENEYE Name: 2-chloro-4-methoxy-benzaldehyde
IUPAC Name: 2-chloro-4-methoxybenzaldehyde
SYSTEMATIC NAME: 2-chloranyl-4-methoxy-benzaldehyde
MOLECULAR FORMULA: C8H7ClO2
MOLECULAR WEIGHT: 170.59298
SMILES: COC1=CC(=C(C=C1)C=O)Cl
Structure:
CAS RN: 42287-94-5
CAS Name: 3-(4-cyanophenyl)propanoic acid
OPENEYE Name: 3-(4-cyanophenyl)propanoic acid
IUPAC Name: 3-(4-cyanophenyl)propanoic acid
SYSTEMATIC NAME: 3-(4-cyanophenyl)propanoic acid
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: C1=CC(=CC=C1CCC(=O)O)C#N
Structure:
CAS RN: 54925-87-0
CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C21H35N5O4
MOLECULAR WEIGHT: 421.5337
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N
Structure:
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