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

Systemtic Name: (2S)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-[4-(3-nitrophenyl)sulfonylpiperazino]valeric acid Formula: C23H26N4O9S MolecularWeight: 534.53894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O9S/c28-21(10-9-20(22(29)30)24-23(31)36-16-17-5-2-1-3-6-17)25-11-13-26(14-12-25)37(34,35)19-8-4-7-18(15-19)27(32)33/h1-8,15,20H,9-14,16H2,(H,24,31)(H,29,30)/t20-/m0/s1