2-azanyl-2-(3-chlorophenyl)carbonyl-5-(3,3-diethylpentylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-2-(3-chlorophenyl)carbonyl-5-(3,3-diethylpentylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-2-(3-chlorobenzoyl)-5-(3,3-diethylpentylamino)-5-oxo-pentanoic acid CAS Name: 2-amino-2-[(3-chlorophenyl)-oxomethyl]-5-(3,3-diethylpentylamino)-5-oxopentanoic acid IUPAC Name: 2-amino-2-(3-chlorobenzoyl)-5-(3,3-diethylpentylamino)-5-oxopentanoic acid Traditional Name: 2-amino-2-(3-chlorobenzoyl)-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)CCC(C(=O)C1=CC(=CC=C1)Cl)(C(=O)O)N

Isomeric SMILES

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

InChI

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