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

Systemtic Name: 4-[(3-chlorophenyl)carbonylamino]-5-(3,3-diethylpentylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3-chlorobenzoyl)amino]-5-(3,3-diethylpentylamino)-5-oxo-pentanoic acid CAS Name: 4-[[(3-chlorophenyl)-oxomethyl]amino]-5-(3,3-diethylpentylamino)-5-oxopentanoic acid IUPAC Name: 4-[(3-chlorobenzoyl)amino]-5-(3,3-diethylpentylamino)-5-oxopentanoic acid Traditional Name: 4-[(3-chlorobenzoyl)amino]-5-(3,3-diethylpentylamino)-5-keto-valeric acid Formula: C21H31ClN2O4 MolecularWeight: 410.93484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN2O4/c1-4-21(5-2,6-3)12-13-23-20(28)17(10-11-18(25)26)24-19(27)15-8-7-9-16(22)14-15/h7-9,14,17H,4-6,10-13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)