3-[[(2S)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-3-methyl-2-[(3-nitro-2-pyridyl)amino]butanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-3-methyl-2-[(3-nitro-2-pyridinyl)amino]-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-3-methyl-2-[(3-nitro-2-pyridyl)amino]butanoyl]amino]propionic acid Formula: C13H18N4O5 MolecularWeight: 310.30582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5/c1-8(2)11(13(20)15-7-5-10(18)19)16-12-9(17(21)22)4-3-6-14-12/h3-4,6,8,11H,5,7H2,1-2H3,(H,14,16)(H,15,20)(H,18,19)/t11-/m0/s1