(2S)-4-methyl-2-[(5R)-2-oxidanylidene-4,5-bis(phenylmethyl)piperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[(5R)-2-oxidanylidene-4,5-bis(phenylmethyl)piperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-[(5R)-4,5-dibenzyl-2-oxo-piperazin-1-yl]-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[(5R)-2-oxo-4,5-bis(phenylmethyl)-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-[(5R)-4,5-dibenzyl-2-oxopiperazin-1-yl]-4-methylpentanoic acid Traditional Name: (2S)-2-[(5R)-4,5-dibenzyl-2-keto-piperazino]-4-methyl-valeric acid Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1CC(N(CC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)N1C[C@H](N(CC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3/c1-18(2)13-22(24(28)29)26-16-21(14-19-9-5-3-6-10-19)25(17-23(26)27)15-20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3,(H,28,29)/t21-,22+/m1/s1