(2R)-2-(3-azanylpropylamino)-4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(3-azanylpropylamino)-4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(3-aminopropylamino)-4-(3-chloro-4-methoxy-anilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(3-aminopropylamino)-4-(3-chloro-4-methoxyanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(3-aminopropylamino)-4-(3-chloro-4-methoxyanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(3-aminopropylamino)-4-(3-chloro-4-methoxy-anilino)-4-keto-butyric acid Formula: C14H20ClN3O4 MolecularWeight: 329.7793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCCCN)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[C@H](C(=O)O)NCCCN)Cl

InChI

InChI=1S/C14H20ClN3O4/c1-22-12-4-3-9(7-10(12)15)18-13(19)8-11(14(20)21)17-6-2-5-16/h3-4,7,11,17H,2,5-6,8,16H2,1H3,(H,18,19)(H,20,21)/t11-/m1/s1