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

Systemtic Name: (2S)-5-[4-(2-methylphenyl)piperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(o-tolyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(2-methylphenyl)-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-[4-(2-methylphenyl)piperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-[4-(o-tolyl)piperazino]valeric acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O5/c1-18-7-5-6-10-21(18)26-13-15-27(16-14-26)22(28)12-11-20(23(29)30)25-24(31)32-17-19-8-3-2-4-9-19/h2-10,20H,11-17H2,1H3,(H,25,31)(H,29,30)/t20-/m0/s1