(2S)-2-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O5/c1-3-9(12(18)19)15-11(17)7(2)14-10-5-4-8(6-13-10)16(20)21/h4-7,9H,3H2,1-2H3,(H,13,14)(H,15,17)(H,18,19)/p-1/t7-,9-/m0/s1