(2S)-3-methyl-2-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-2-[(5-nitro-2-pyridinyl)amino]-1-oxopropyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]butyrate Formula: C13H17N4O5- MolecularWeight: 309.29788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5/c1-7(2)11(13(19)20)16-12(18)8(3)15-10-5-4-9(6-14-10)17(21)22/h4-8,11H,1-3H3,(H,14,15)(H,16,18)(H,19,20)/p-1/t8-,11-/m0/s1