(2S)-2-[(4-ethanoyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(4-ethanoyl-1-methyl-pyrrol-2-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(4-acetyl-1-methyl-pyrrole-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(4-acetyl-1-methyl-2-pyrrolyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(4-acetyl-1-methyl-pyrrole-2-carbonyl)amino]-3-methyl-butyric acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=CN1C)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-7(2)11(13(18)19)14-12(17)10-5-9(8(3)16)6-15(10)4/h5-7,11H,1-4H3,(H,14,17)(H,18,19)/t11-/m0/s1