(2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2R)-4-mesyl-2-(m-toluoylamino)butyrate Formula: C13H16NO5S- MolecularWeight: 298.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCS(=O)(=O)C)C(=O)[O-]

InChI

InChI=1S/C13H17NO5S/c1-9-4-3-5-10(8-9)12(15)14-11(13(16)17)6-7-20(2,18)19/h3-5,8,11H,6-7H2,1-2H3,(H,14,15)(H,16,17)/p-1/t11-/m1/s1