(2S)-2-[(1-methylpyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(1-methylpyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(1-methylpyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(1-methylpyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1-methylpyrrole-2-carbonyl)amino]-4-(methylthio)butyrate Formula: C11H15N2O3S- MolecularWeight: 255.3134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O3S/c1-13-6-3-4-9(13)10(14)12-8(11(15)16)5-7-17-2/h3-4,6,8H,5,7H2,1-2H3,(H,12,14)(H,15,16)/p-1/t8-/m0/s1