[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (3S)-7-methoxy-2-[(2S)-1-[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (3S)-7-methoxy-2-[(2S)-1-[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidin-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [(1R,2S)-2-(tert-butoxycarbonylamino)-1-methyl-3-oxo-3-(2-trimethylsilylethoxymethoxy)propyl] (3S)-2-[(2S)-1-[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-7-methoxy-2-[[(2S)-1-[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]-2-pyrrolidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(2R,3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] ester IUPAC Name: [(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (3S)-7-methoxy-2-[(2S)-1-[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(2S)-1-[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]prolyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [(1R,2S)-2-(tert-butoxycarbonylamino)-3-keto-1-methyl-3-(2-trimethylsilylethoxymethoxy)propyl] ester Formula: C45H66N4O12Si MolecularWeight: 883.11064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)N2CC3=C(CC2C(=O)OC(C)C(C(=O)OCOCC[Si](C)(C)C)NC(=O)OC(C)(C)C)C=CC(=C3)OC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]([C@@H](C(=O)OCOCC[Si](C)(C)C)NC(=O)OC(C)(C)C)OC(=O)[C@@H]1CC2=C(CN1C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)OCC4=CC=CC=C4)C=C(C=C2)OC

InChI

InChI=1S/C45H66N4O12Si/c1-29(2)23-35(46-43(54)58-27-31-15-12-11-13-16-31)39(50)48-20-14-17-36(48)40(51)49-26-33-24-34(56-7)19-18-32(33)25-37(49)41(52)60-30(3)38(47-44(55)61-45(4,5)6)42(53)59-28-57-21-22-62(8,9)10/h11-13,15-16,18-19,24,29-30,35-38H,14,17,20-23,25-28H2,1-10H3,(H,46,54)(H,47,55)/t30-,35+,36+,37+,38+/m1/s1