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

Systemtic Name: (2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methyl-valerate Formula: C11H14BrN2O3- MolecularWeight: 302.14446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15BrN2O3/c1-6(2)3-9(11(16)17)14-10(15)8-4-7(12)5-13-8/h4-6,9,13H,3H2,1-2H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1