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

Systemtic Name: (2R)-2-(3-azanylpropylamino)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(3-aminopropylamino)-4-(4-nitroanilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(3-aminopropylamino)-4-(4-nitroanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(3-aminopropylamino)-4-(4-nitroanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(3-aminopropylamino)-4-keto-4-(4-nitroanilino)butyric acid Formula: C13H18N4O5 MolecularWeight: 310.30582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(C(=O)O)NCCCN)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C[C@H](C(=O)O)NCCCN)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5/c14-6-1-7-15-11(13(19)20)8-12(18)16-9-2-4-10(5-3-9)17(21)22/h2-5,11,15H,1,6-8,14H2,(H,16,18)(H,19,20)/t11-/m1/s1