3-[methyl-[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]propanoate

Systemtic Name: 3-[methyl-[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]propanoate Openeye Name: 3-[methyl-[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]propanoate CAS Name: 3-[methyl-[(2S)-2-[(5-nitro-2-pyridinyl)amino]-1-oxopropyl]amino]propanoate IUPAC Name: 3-[methyl-[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]propanoate Traditional Name: 3-[methyl-[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]propionate Formula: C12H15N4O5- MolecularWeight: 295.2713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O5/c1-8(12(19)15(2)6-5-11(17)18)14-10-4-3-9(7-13-10)16(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)(H,17,18)/p-1/t8-/m0/s1