(2S)-2-[[(2R)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]butanoate

Systemtic Name: (2S)-2-[[(2R)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]butanoate Openeye Name: (2S)-2-[[(2R)-3-methyl-2-[(3-nitro-2-pyridyl)amino]butanoyl]amino]butanoate CAS Name: (2S)-2-[[(2R)-3-methyl-2-[(3-nitro-2-pyridinyl)amino]-1-oxobutyl]amino]butanoate IUPAC Name: (2S)-2-[[(2R)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2R)-3-methyl-2-[(3-nitro-2-pyridyl)amino]butanoyl]amino]butyrate Formula: C14H19N4O5- MolecularWeight: 323.32446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)C(C(C)C)NC1=C(C=CC=N1)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C(=O)[O-])NC(=O)[C@@H](C(C)C)NC1=C(C=CC=N1)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O5/c1-4-9(14(20)21)16-13(19)11(8(2)3)17-12-10(18(22)23)6-5-7-15-12/h5-9,11H,4H2,1-3H3,(H,15,17)(H,16,19)(H,20,21)/p-1/t9-,11+/m0/s1