(2S)-2-(2-azanylethylamino)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(2-azanylethylamino)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(2-aminoethylamino)-4-(3-chloroanilino)-4-oxo-butanoic acid CAS Name: (2S)-2-(2-aminoethylamino)-4-(3-chloroanilino)-4-oxobutanoic acid IUPAC Name: (2S)-2-(2-aminoethylamino)-4-(3-chloroanilino)-4-oxobutanoic acid Traditional Name: (2S)-2-(2-aminoethylamino)-4-(3-chloroanilino)-4-keto-butyric acid Formula: C12H16ClN3O3 MolecularWeight: 285.72674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)CC(C(=O)O)NCCN

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)C[C@@H](C(=O)O)NCCN

InChI

InChI=1S/C12H16ClN3O3/c13-8-2-1-3-9(6-8)16-11(17)7-10(12(18)19)15-5-4-14/h1-3,6,10,15H,4-5,7,14H2,(H,16,17)(H,18,19)/t10-/m0/s1