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

Systemtic Name: (2S)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(4-methoxyphenyl)-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-[4-(4-methoxyphenyl)piperazino]valeric acid Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O6/c1-32-20-9-7-19(8-10-20)26-13-15-27(16-14-26)22(28)12-11-21(23(29)30)25-24(31)33-17-18-5-3-2-4-6-18/h2-10,21H,11-17H2,1H3,(H,25,31)(H,29,30)/t21-/m0/s1