2-[(1-azanylcyclopentyl)carbonyl-[(2-ethanoylsulfanyl-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)-hexanoyl-amino]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(1-azanylcyclopentyl)carbonyl-[(2-ethanoylsulfanyl-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)-hexanoyl-amino]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(1-acetylsulfanyl-1-benzyl-2-methoxy-2-oxo-ethyl)-hexanoyl-amino]-(1-aminocyclopentanecarbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-(acetylthio)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-(1-oxohexyl)amino]-[(1-aminocyclopentyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(2-acetylsulfanyl-1-methoxy-1-oxo-3-phenylpropan-2-yl)-hexanoylamino]-(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[[[1-(acetylthio)-1-benzyl-2-keto-2-methoxy-ethyl]-caproyl-amino]-(1-aminocyclopentanecarbonyl)amino]-3-phenyl-propionic acid Formula: C33H43N3O7S MolecularWeight: 625.77542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C(CC1=CC=CC=C1)(C(=O)OC)SC(=O)C)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3(CCCC3)N

Isomeric SMILES

CCCCCC(=O)N(C(CC1=CC=CC=C1)(C(=O)OC)SC(=O)C)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3(CCCC3)N

InChI

InChI=1S/C33H43N3O7S/c1-4-5-8-19-28(38)36(33(31(42)43-3,44-24(2)37)23-26-17-11-7-12-18-26)35(30(41)32(34)20-13-14-21-32)27(29(39)40)22-25-15-9-6-10-16-25/h6-7,9-12,15-18,27H,4-5,8,13-14,19-23,34H2,1-3H3,(H,39,40)