1-[[4-(4-methylsulfanylphenyl)-2-oxidanyl-butanoyl]amino]-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[4-(4-methylsulfanylphenyl)-2-oxidanyl-butanoyl]amino]-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid Openeye Name: 3-(benzyloxycarbonylamino)-1-[[2-hydroxy-4-(4-methylsulfanylphenyl)butanoyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[2-hydroxy-4-[4-(methylthio)phenyl]-1-oxobutyl]amino]-3-(phenylmethoxycarbonylamino)-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[2-hydroxy-4-(4-methylsulfanylphenyl)butanoyl]amino]-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid Traditional Name: 3-(benzyloxycarbonylamino)-1-[[2-hydroxy-4-[4-(methylthio)phenyl]butanoyl]amino]cyclopentanecarboxylic acid Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCC(C(=O)NC2(CCC(C2)NC(=O)OCC3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CCC(C(=O)NC2(CCC(C2)NC(=O)OCC3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C25H30N2O6S/c1-34-20-10-7-17(8-11-20)9-12-21(28)22(29)27-25(23(30)31)14-13-19(15-25)26-24(32)33-16-18-5-3-2-4-6-18/h2-8,10-11,19,21,28H,9,12-16H2,1H3,(H,26,32)(H,27,29)(H,30,31)