2-[1-(cyclohexylcarbamoyl)-6-(2-methylpropyl)-5-oxidanylidene-4-(phenylmethyl)piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[1-(cyclohexylcarbamoyl)-6-(2-methylpropyl)-5-oxidanylidene-4-(phenylmethyl)piperazin-2-yl]ethanoic acid Openeye Name: 2-[4-benzyl-1-(cyclohexylcarbamoyl)-6-isobutyl-5-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[1-[(cyclohexylamino)-oxomethyl]-6-(2-methylpropyl)-5-oxo-4-(phenylmethyl)-2-piperazinyl]acetic acid IUPAC Name: 2-[4-benzyl-1-(cyclohexylcarbamoyl)-6-(2-methylpropyl)-5-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[4-benzyl-1-(cyclohexylcarbamoyl)-6-isobutyl-5-keto-piperazin-2-yl]acetic acid Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(CC(N1C(=O)NC2CCCCC2)CC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1C(=O)N(CC(N1C(=O)NC2CCCCC2)CC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C24H35N3O4/c1-17(2)13-21-23(30)26(15-18-9-5-3-6-10-18)16-20(14-22(28)29)27(21)24(31)25-19-11-7-4-8-12-19/h3,5-6,9-10,17,19-21H,4,7-8,11-16H2,1-2H3,(H,25,31)(H,28,29)