(2S)-4-methylsulfanyl-2-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(2S)-2-[(5-nitro-2-pyridinyl)amino]-1-oxopropyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]butyrate Formula: C13H17N4O5S- MolecularWeight: 341.36288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5S/c1-8(12(18)16-10(13(19)20)5-6-23-2)15-11-4-3-9(7-14-11)17(21)22/h3-4,7-8,10H,5-6H2,1-2H3,(H,14,15)(H,16,18)(H,19,20)/p-1/t8-,10-/m0/s1