(2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-(4-p-cumenylsulfonylpiperazino)valeric acid Formula: C26H33N3O7S MolecularWeight: 531.62112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O7S/c1-19(2)21-8-10-22(11-9-21)37(34,35)29-16-14-28(15-17-29)24(30)13-12-23(25(31)32)27-26(33)36-18-20-6-4-3-5-7-20/h3-11,19,23H,12-18H2,1-2H3,(H,27,33)(H,31,32)/t23-/m0/s1