(2R)-4-azanyl-2-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-azanyl-2-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-amino-2-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]-4-oxo-butanoate CAS Name: (2R)-4-amino-2-[[(2S)-2-[(5-nitro-2-pyridinyl)amino]-1-oxopropyl]amino]-4-oxobutanoate IUPAC Name: (2R)-4-amino-2-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]-4-oxobutanoate Traditional Name: (2R)-4-amino-4-keto-2-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]butyrate Formula: C12H14N5O6- MolecularWeight: 324.26946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)N)C(=O)[O-])NC1=NC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CC(=O)N)C(=O)[O-])NC1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O6/c1-6(11(19)16-8(12(20)21)4-9(13)18)15-10-3-2-7(5-14-10)17(22)23/h2-3,5-6,8H,4H2,1H3,(H2,13,18)(H,14,15)(H,16,19)(H,20,21)/p-1/t6-,8+/m0/s1