(2S)-2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]-4-(methylthio)butyrate Formula: C11H14N3O5S- MolecularWeight: 300.31096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC(CCSC)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N[C@@H](CCSC)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O5S/c1-13-6-7(14(18)19)5-9(13)10(15)12-8(11(16)17)3-4-20-2/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,16,17)/p-1/t8-/m0/s1