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

Systemtic Name: (2S)-5-oxidanylidene-5-[4-(4-phenoxyphenyl)piperazin-1-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid CAS Name: (2S)-5-oxo-5-[4-(4-phenoxyphenyl)-1-piperazinyl]-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-[4-(4-phenoxyphenyl)piperazino]valeric acid Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)CCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O6/c33-27(16-15-26(28(34)35)30-29(36)37-21-22-7-3-1-4-8-22)32-19-17-31(18-20-32)23-11-13-25(14-12-23)38-24-9-5-2-6-10-24/h1-14,26H,15-21H2,(H,30,36)(H,34,35)/t26-/m0/s1