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

Systemtic Name: 2-[1-(cyclohexylcarbamoyl)-5-oxidanylidene-4,6-bis(phenylmethyl)piperazin-2-yl]ethanoic acid Openeye Name: 2-[4,6-dibenzyl-1-(cyclohexylcarbamoyl)-5-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[1-[(cyclohexylamino)-oxomethyl]-5-oxo-4,6-bis(phenylmethyl)-2-piperazinyl]acetic acid IUPAC Name: 2-[4,6-dibenzyl-1-(cyclohexylcarbamoyl)-5-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[4,6-dibenzyl-1-(cyclohexylcarbamoyl)-5-keto-piperazin-2-yl]acetic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2C(CN(C(=O)C2CC3=CC=CC=C3)CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)N2C(CN(C(=O)C2CC3=CC=CC=C3)CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C27H33N3O4/c31-25(32)17-23-19-29(18-21-12-6-2-7-13-21)26(33)24(16-20-10-4-1-5-11-20)30(23)27(34)28-22-14-8-3-9-15-22/h1-2,4-7,10-13,22-24H,3,8-9,14-19H2,(H,28,34)(H,31,32)