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

Systemtic Name: (2S)-2-[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]-4-(methylthio)butyrate Formula: C11H14BrN2O3S- MolecularWeight: 334.20946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15BrN2O3S/c1-14-6-7(12)5-9(14)10(15)13-8(11(16)17)3-4-18-2/h5-6,8H,3-4H2,1-2H3,(H,13,15)(H,16,17)/p-1/t8-/m0/s1