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

Systemtic Name: (2R)-2-(3-azanylpropylamino)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(3-aminopropylamino)-4-(3-chloroanilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(3-aminopropylamino)-4-(3-chloroanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(3-aminopropylamino)-4-(3-chloroanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(3-aminopropylamino)-4-(3-chloroanilino)-4-keto-butyric acid Formula: C13H18ClN3O3 MolecularWeight: 299.75332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O3/c14-9-3-1-4-10(7-9)17-12(18)8-11(13(19)20)16-6-2-5-15/h1,3-4,7,11,16H,2,5-6,8,15H2,(H,17,18)(H,19,20)/t11-/m1/s1