(2S,3S)-2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(1,5-dimethyl-2-pyrrolyl)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methyl-valerate Formula: C13H19N2O3- MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC=C(N1C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(N1C)C

InChI

InChI=1S/C13H20N2O3/c1-5-8(2)11(13(17)18)14-12(16)10-7-6-9(3)15(10)4/h6-8,11H,5H2,1-4H3,(H,14,16)(H,17,18)/p-1/t8-,11-/m0/s1