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

Systemtic Name: 3-[methyl-[(2S)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]propanoic acid Openeye Name: 3-[methyl-[(2S)-3-methyl-2-[(3-nitro-2-pyridyl)amino]butanoyl]amino]propanoic acid CAS Name: 3-[methyl-[(2S)-3-methyl-2-[(3-nitro-2-pyridinyl)amino]-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[methyl-[(2S)-3-methyl-2-[(3-nitropyridin-2-yl)amino]butanoyl]amino]propanoic acid Traditional Name: 3-[methyl-[(2S)-3-methyl-2-[(3-nitro-2-pyridyl)amino]butanoyl]amino]propionic acid Formula: C14H20N4O5 MolecularWeight: 324.3324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5/c1-9(2)12(14(21)17(3)8-6-11(19)20)16-13-10(18(22)23)5-4-7-15-13/h4-5,7,9,12H,6,8H2,1-3H3,(H,15,16)(H,19,20)/t12-/m0/s1