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

Systemtic Name: (2S)-2-[(4-ethanoyl-1-methyl-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-acetyl-1-methyl-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-acetyl-1-methyl-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-acetyl-1-methyl-pyrrole-2-carbonyl)amino]-4-(methylthio)butyrate Formula: C13H17N2O4S- MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)NC(CCSC)C(=O)[O-])C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)N[C@@H](CCSC)C(=O)[O-])C

InChI

InChI=1S/C13H18N2O4S/c1-8(16)9-6-11(15(2)7-9)12(17)14-10(13(18)19)4-5-20-3/h6-7,10H,4-5H2,1-3H3,(H,14,17)(H,18,19)/p-1/t10-/m0/s1