4-[[(2S)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]butanoate

Systemtic Name: 4-[[(2S)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]butanoate Openeye Name: 4-[[(2S)-3-methyl-2-[(3-nitro-2-pyridyl)amino]butanoyl]amino]butanoate CAS Name: 4-[[(2S)-3-methyl-2-[(3-nitro-2-pyridinyl)amino]-1-oxobutyl]amino]butanoate IUPAC Name: 4-[[(2S)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]butanoate Traditional Name: 4-[[(2S)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5/c1-9(2)12(14(21)16-8-4-6-11(19)20)17-13-10(18(22)23)5-3-7-15-13/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,15,17)(H,16,21)(H,19,20)/p-1/t12-/m0/s1