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

Systemtic Name: (2S)-2-benzamido-5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-oxo-5-[4-(p-tolyl)piperazin-1-yl]pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(4-methylphenyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-keto-5-[4-(p-tolyl)piperazino]valeric acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-17-7-9-19(10-8-17)25-13-15-26(16-14-25)21(27)12-11-20(23(29)30)24-22(28)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,24,28)(H,29,30)/t20-/m0/s1