(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER

Molecular Formula: C₁₉H₂₁N₃O₆S

InChI: InChI=1/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/t17-/m0/s1/f/h20,25H

InChIKey: InChIKey=MFDBNNQUDZFSES-ZIZDCAMLDK
SMILES: CNC(=O)C1CC2=C(CN1C(=O)OCC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O

Names:
    SK2
    (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
    (3S)-3-(methylcarbamoyl)-2-phenylmethoxycarbonyl-7-(sulfoamino)-3,4-dihydro-1H-isoquinoline

Registries:
    PubChem CID 5327153
    PubChem ID 8142752