2-[(1-azanylcyclopentyl)carbonyl-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)-(4-oxidanyl-4-sulfanyl-butanoyl)amino]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(1-azanylcyclopentyl)carbonyl-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)-(4-oxidanyl-4-sulfanyl-butanoyl)amino]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(1-aminocyclopentanecarbonyl)-[(1-benzyl-2-methoxy-2-oxo-ethyl)-(4-hydroxy-4-sulfanyl-butanoyl)amino]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(1-aminocyclopentyl)-oxomethyl]-[(4-hydroxy-4-mercapto-1-oxobutyl)-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(1-aminocyclopentanecarbonyl)-[(4-hydroxy-4-sulfanylbutanoyl)-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-aminocyclopentanecarbonyl)-[(1-benzyl-2-keto-2-methoxy-ethyl)-(4-hydroxy-4-mercapto-butanoyl)amino]amino]-3-phenyl-propionic acid Formula: C29H37N3O7S MolecularWeight: 571.68498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(C(=O)CCC(O)S)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3(CCCC3)N

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N(C(=O)CCC(O)S)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3(CCCC3)N

InChI

InChI=1S/C29H37N3O7S/c1-39-27(37)23(19-21-12-6-3-7-13-21)31(24(33)14-15-25(34)40)32(28(38)29(30)16-8-9-17-29)22(26(35)36)18-20-10-4-2-5-11-20/h2-7,10-13,22-23,25,34,40H,8-9,14-19,30H2,1H3,(H,35,36)