[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2R)-4-mesyl-2-(m-toluoylamino)butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCS(=O)(=O)C)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C18H22N2O6S/c1-4-9-19-16(21)12-26-18(23)15(8-10-27(3,24)25)20-17(22)14-7-5-6-13(2)11-14/h1,5-7,11,15H,8-10,12H2,2-3H3,(H,19,21)(H,20,22)/t15-/m1/s1