(2R)-2-(3-azanylpropylamino)-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(3-azanylpropylamino)-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(3-aminopropylamino)-4-(2-methyl-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(3-aminopropylamino)-4-(2-methyl-5-nitroanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(3-aminopropylamino)-4-(2-methyl-5-nitroanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(3-aminopropylamino)-4-keto-4-(2-methyl-5-nitro-anilino)butyric acid Formula: C14H20N4O5 MolecularWeight: 324.3324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCCCN

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[C@H](C(=O)O)NCCCN

InChI

InChI=1S/C14H20N4O5/c1-9-3-4-10(18(22)23)7-11(9)17-13(19)8-12(14(20)21)16-6-2-5-15/h3-4,7,12,16H,2,5-6,8,15H2,1H3,(H,17,19)(H,20,21)/t12-/m1/s1