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

Systemtic Name: (2S)-2-[(4-ethanoyl-1H-pyrrol-2-yl)carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-acetyl-1H-pyrrol-2-yl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methyl-butyrate Formula: C12H15N2O4- MolecularWeight: 251.2585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-6(2)10(12(17)18)14-11(16)9-4-8(5-13-9)7(3)15/h4-6,10,13H,1-3H3,(H,14,16)(H,17,18)/p-1/t10-/m0/s1