tert-butyl N-[(2S)-1-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3-(trimethylsilyloxycarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3-(trimethylsilyloxycarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3-(trimethylsilyloxycarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3-[oxo-(trimethylsilyloxyamino)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3-(trimethylsilyloxycarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-2-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3-(trimethylsilyloxycarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C28H40N4O8SSi MolecularWeight: 620.7897

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO[Si](C)(C)C)C=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C[C@@H](N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO[Si](C)(C)C)C=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H40N4O8SSi/c1-18(29-27(35)39-28(2,3)4)25(33)30-21-10-9-19-16-24(26(34)31-40-42(6,7)8)32(17-20(19)15-21)41(36,37)23-13-11-22(38-5)12-14-23/h9-15,18,24H,16-17H2,1-8H3,(H,29,35)(H,30,33)(H,31,34)/t18-,24+/m0/s1