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

Systemtic Name: (2S)-2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(1,5-dimethyl-2-pyrrolyl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methyl-butyrate Formula: C12H17N2O3- MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(N1C)C(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C12H18N2O3/c1-7(2)10(12(16)17)13-11(15)9-6-5-8(3)14(9)4/h5-7,10H,1-4H3,(H,13,15)(H,16,17)/p-1/t10-/m0/s1