4-[(3-chlorophenyl)carbonylamino]-5-(4,4-dimethylpentylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(3-chlorophenyl)carbonylamino]-5-(4,4-dimethylpentylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3-chlorobenzoyl)amino]-5-(4,4-dimethylpentylamino)-5-oxo-pentanoic acid CAS Name: 4-[[(3-chlorophenyl)-oxomethyl]amino]-5-(4,4-dimethylpentylamino)-5-oxopentanoic acid IUPAC Name: 4-[(3-chlorobenzoyl)amino]-5-(4,4-dimethylpentylamino)-5-oxopentanoic acid Traditional Name: 4-[(3-chlorobenzoyl)amino]-5-(4,4-dimethylpentylamino)-5-keto-valeric acid Formula: C19H27ClN2O4 MolecularWeight: 382.88168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O4/c1-19(2,3)10-5-11-21-18(26)15(8-9-16(23)24)22-17(25)13-6-4-7-14(20)12-13/h4,6-7,12,15H,5,8-11H2,1-3H3,(H,21,26)(H,22,25)(H,23,24)