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

Systemtic Name: (2S)-2-benzamido-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(2,5-dimethylphenyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(2,5-dimethylphenyl)piperazino]-5-keto-valeric acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-17-8-9-18(2)21(16-17)26-12-14-27(15-13-26)22(28)11-10-20(24(30)31)25-23(29)19-6-4-3-5-7-19/h3-9,16,20H,10-15H2,1-2H3,(H,25,29)(H,30,31)/t20-/m0/s1