(2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-methyl-butyrate Formula: C10H12BrN2O3- MolecularWeight: 288.11788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC(=CN1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC(=CN1)Br

InChI

InChI=1S/C10H13BrN2O3/c1-5(2)8(10(15)16)13-9(14)7-3-6(11)4-12-7/h3-5,8,12H,1-2H3,(H,13,14)(H,15,16)/p-1/t8-/m0/s1