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

Systemtic Name: 2-[(1-azanylcyclopentyl)carbonyl-[(2-ethanoylsulfanyl-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)-pentanoyl-amino]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(1-acetylsulfanyl-1-benzyl-2-methoxy-2-oxo-ethyl)-pentanoyl-amino]-(1-aminocyclopentanecarbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-(acetylthio)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-(1-oxopentyl)amino]-[(1-aminocyclopentyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(2-acetylsulfanyl-1-methoxy-1-oxo-3-phenylpropan-2-yl)-pentanoylamino]-(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[[[1-(acetylthio)-1-benzyl-2-keto-2-methoxy-ethyl]-valeryl-amino]-(1-aminocyclopentanecarbonyl)amino]-3-phenyl-propionic acid Formula: C32H41N3O7S MolecularWeight: 611.74884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=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

CCCCC(=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/C32H41N3O7S/c1-4-5-18-27(37)35(32(30(41)42-3,43-23(2)36)22-25-16-10-7-11-17-25)34(29(40)31(33)19-12-13-20-31)26(28(38)39)21-24-14-8-6-9-15-24/h6-11,14-17,26H,4-5,12-13,18-22,33H2,1-3H3,(H,38,39)