(2S)-5-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(4-methoxy-3-methylphenyl)sulfonyl-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazino]valeric acid Formula: C25H31N3O8S MolecularWeight: 533.59394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H31N3O8S/c1-18-16-20(8-10-22(18)35-2)37(33,34)28-14-12-27(13-15-28)23(29)11-9-21(24(30)31)26-25(32)36-17-19-6-4-3-5-7-19/h3-8,10,16,21H,9,11-15,17H2,1-2H3,(H,26,32)(H,30,31)/t21-/m0/s1