(2R)-2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2R)-2-[(1,5-dimethylpyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2R)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2R)-2-[[(1,5-dimethyl-2-pyrrolyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2R)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2R)-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-4-mesyl-butyrate Formula: C12H17N2O5S- MolecularWeight: 301.33878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5S/c1-8-4-5-10(14(8)2)11(15)13-9(12(16)17)6-7-20(3,18)19/h4-5,9H,6-7H2,1-3H3,(H,13,15)(H,16,17)/p-1/t9-/m1/s1