[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)OC(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C

InChI

InChI=1S/C16H21N3O6S/c1-10(14(20)18-16(22)17-2)25-15(21)13-8-11-6-4-5-7-12(11)9-19(13)26(3,23)24/h4-7,10,13H,8-9H2,1-3H3,(H2,17,18,20,22)/t10-,13+/m1/s1