2-[(3-chlorophenyl)carbonylamino]-5-(hexylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[(3-chlorophenyl)carbonylamino]-5-(hexylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 2-[(3-chlorobenzoyl)amino]-5-(hexylamino)-5-oxo-pentanoic acid CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]-5-(hexylamino)-5-oxopentanoic acid IUPAC Name: 2-[(3-chlorobenzoyl)amino]-5-(hexylamino)-5-oxopentanoic acid Traditional Name: 2-[(3-chlorobenzoyl)amino]-5-(hexylamino)-5-keto-valeric acid Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O4/c1-2-3-4-5-11-20-16(22)10-9-15(18(24)25)21-17(23)13-7-6-8-14(19)12-13/h6-8,12,15H,2-5,9-11H2,1H3,(H,20,22)(H,21,23)(H,24,25)