(2R)-2-(6-azanylhexylamino)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(6-azanylhexylamino)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(6-aminohexylamino)-4-(3-chloroanilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(6-aminohexylamino)-4-(3-chloroanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(6-aminohexylamino)-4-(3-chloroanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(6-aminohexylamino)-4-(3-chloroanilino)-4-keto-butyric acid Formula: C16H24ClN3O3 MolecularWeight: 341.83306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O3/c17-12-6-5-7-13(10-12)20-15(21)11-14(16(22)23)19-9-4-2-1-3-8-18/h5-7,10,14,19H,1-4,8-9,11,18H2,(H,20,21)(H,22,23)/t14-/m1/s1