4-methylsulfanyl-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]butanoic acid Openeye Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(1-benzyl-5-nitroimidazole-4-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-4-(methylthio)butyric acid Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-26-8-7-12(16(22)23)18-14(21)13-15(20(24)25)19(10-17-13)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,18,21)(H,22,23)