(2R)-2-(2-acetamidoethylamino)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(2-acetamidoethylamino)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(2-acetamidoethylamino)-4-(2-chloroanilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(2-acetamidoethylamino)-4-(2-chloroanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(2-acetamidoethylamino)-4-(2-chloroanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(2-acetamidoethylamino)-4-(2-chloroanilino)-4-keto-butyric acid Formula: C14H18ClN3O4 MolecularWeight: 327.76342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(CC(=O)NC1=CC=CC=C1Cl)C(=O)O

Isomeric SMILES

CC(=O)NCCN[C@H](CC(=O)NC1=CC=CC=C1Cl)C(=O)O

InChI

InChI=1S/C14H18ClN3O4/c1-9(19)16-6-7-17-12(14(21)22)8-13(20)18-11-5-3-2-4-10(11)15/h2-5,12,17H,6-8H2,1H3,(H,16,19)(H,18,20)(H,21,22)/t12-/m1/s1