tert-butyl (3S)-3-[[(2S,3R)-1-methoxy-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[(2S,3R)-1-methoxy-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[(1S,2R)-2-hydroxy-1-methoxycarbonyl-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[(1S,2R)-1-carbomethoxy-2-hydroxy-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)NC(=O)C1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)OC)NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H28N2O6/c1-12(23)16(18(25)27-5)21-17(24)15-10-13-8-6-7-9-14(13)11-22(15)19(26)28-20(2,3)4/h6-9,12,15-16,23H,10-11H2,1-5H3,(H,21,24)/t12-,15+,16+/m1/s1