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

Systemtic Name: (2S)-2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(4-chloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-4-methyl-valerate Formula: C12H16ClN2O3- MolecularWeight: 271.72004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O3/c1-7(2)4-9(12(17)18)14-11(16)10-5-8(13)6-15(10)3/h5-7,9H,4H2,1-3H3,(H,14,16)(H,17,18)/p-1/t9-/m0/s1