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

Systemtic Name: 1-[[4-(4-methylsulfonylphenyl)-2-oxidanyl-butanoyl]amino]-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid Openeye Name: 3-(benzyloxycarbonylamino)-1-[[2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxobutyl]amino]-3-(phenylmethoxycarbonylamino)-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid Traditional Name: 3-(benzyloxycarbonylamino)-1-[[2-hydroxy-4-(4-mesylphenyl)butanoyl]amino]cyclopentanecarboxylic acid Formula: C25H30N2O8S MolecularWeight: 518.5793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O8S/c1-36(33,34)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)35-16-18-5-3-2-4-6-18/h2-8,10-11,19,21,28H,9,12-16H2,1H3,(H,26,32)(H,27,29)(H,30,31)