3-[3-methylbutyl-[2-[(4-phenylphenyl)methyl]piperazin-1-yl]carbonyl-carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[3-methylbutyl-[2-[(4-phenylphenyl)methyl]piperazin-1-yl]carbonyl-carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[isopentyl-[2-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[3-methylbutyl-[oxo-[2-[(4-phenylphenyl)methyl]-1-piperazinyl]methyl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[3-methylbutyl-[2-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[isoamyl-[2-(4-phenylbenzyl)piperazine-1-carbonyl]carbamoyl]oxirane-2-carboxylic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1C(O1)C(=O)O)C(=O)N2CCNCC2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN(C(=O)C1C(O1)C(=O)O)C(=O)N2CCNCC2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O5/c1-18(2)12-14-30(25(31)23-24(35-23)26(32)33)27(34)29-15-13-28-17-22(29)16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,18,22-24,28H,12-17H2,1-2H3,(H,32,33)