(2S)-2-(6-azanylhexylamino)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(6-azanylhexylamino)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(6-aminohexylamino)-4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: (2S)-2-(6-aminohexylamino)-4-(3-nitroanilino)-4-oxobutanoic acid IUPAC Name: (2S)-2-(6-aminohexylamino)-4-(3-nitroanilino)-4-oxobutanoic acid Traditional Name: (2S)-2-(6-aminohexylamino)-4-keto-4-(3-nitroanilino)butyric acid Formula: C16H24N4O5 MolecularWeight: 352.38556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C[C@@H](C(=O)O)NCCCCCCN

InChI

InChI=1S/C16H24N4O5/c17-8-3-1-2-4-9-18-14(16(22)23)11-15(21)19-12-6-5-7-13(10-12)20(24)25/h5-7,10,14,18H,1-4,8-9,11,17H2,(H,19,21)(H,22,23)/t14-/m0/s1