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

Systemtic Name: (2S)-5-oxidanylidene-5-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-oxo-5-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pentanoic acid CAS Name: (2S)-5-oxo-5-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-oxo-5-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-[4-(4-phenoxyphenyl)sulfonylpiperazino]valeric acid Formula: C29H31N3O8S MolecularWeight: 581.63674

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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=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O8S/c33-27(16-15-26(28(34)35)30-29(36)39-21-22-7-3-1-4-8-22)31-17-19-32(20-18-31)41(37,38)25-13-11-24(12-14-25)40-23-9-5-2-6-10-23/h1-14,26H,15-21H2,(H,30,36)(H,34,35)/t26-/m0/s1