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

Systemtic Name: (2S)-2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-3-methyl-butyrate Formula: C11H14ClN2O3- MolecularWeight: 257.69346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC(=CN1C)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC(=CN1C)Cl

InChI

InChI=1S/C11H15ClN2O3/c1-6(2)9(11(16)17)13-10(15)8-4-7(12)5-14(8)3/h4-6,9H,1-3H3,(H,13,15)(H,16,17)/p-1/t9-/m0/s1