(2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-[4-(phenylsulfonyl)piperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-[4-(phenylsulfonyl)piperazin-1-yl]pentanoic acid Openeye Name: (2S)-5-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzyloxycarbonylamino)-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(benzenesulfonyl)-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-[4-(benzenesulfonyl)piperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-(4-besylpiperazino)-5-keto-valeric acid Formula: C23H27N3O7S MolecularWeight: 489.54138

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O7S/c27-21(25-13-15-26(16-14-25)34(31,32)19-9-5-2-6-10-19)12-11-20(22(28)29)24-23(30)33-17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,30)(H,28,29)/t20-/m0/s1