4-[(3-chlorophenyl)carbonylamino]-5-[(3-ethyl-3-methyl-pentyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(3-chlorophenyl)carbonylamino]-5-[(3-ethyl-3-methyl-pentyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3-chlorobenzoyl)amino]-5-[(3-ethyl-3-methyl-pentyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[(3-chlorophenyl)-oxomethyl]amino]-5-[(3-ethyl-3-methylpentyl)amino]-5-oxopentanoic acid IUPAC Name: 4-[(3-chlorobenzoyl)amino]-5-[(3-ethyl-3-methylpentyl)amino]-5-oxopentanoic acid Traditional Name: 4-[(3-chlorobenzoyl)amino]-5-[(3-ethyl-3-methyl-pentyl)amino]-5-keto-valeric acid Formula: C20H29ClN2O4 MolecularWeight: 396.90826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)CCNC(=O)C(CCC(=O)O)NC(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CCC(C)(CC)CCNC(=O)C(CCC(=O)O)NC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C20H29ClN2O4/c1-4-20(3,5-2)11-12-22-19(27)16(9-10-17(24)25)23-18(26)14-7-6-8-15(21)13-14/h6-8,13,16H,4-5,9-12H2,1-3H3,(H,22,27)(H,23,26)(H,24,25)