[(1S)-2-[[(E,4S,5R)-4-acetyloxy-5-[(2S)-aziridin-2-yl]-3-bromanyl-1-oxidanylidene-1-(2-oxidanylidenepropylamino)-5-triethylsilyloxy-pent-2-en-2-yl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxidanylidene-ethyl] 3-methoxy-5-methyl-naphthalene-1-carboxylate

Systemtic Name: [(1S)-2-[[(E,4S,5R)-4-acetyloxy-5-[(2S)-aziridin-2-yl]-3-bromanyl-1-oxidanylidene-1-(2-oxidanylidenepropylamino)-5-triethylsilyloxy-pent-2-en-2-yl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxidanylidene-ethyl] 3-methoxy-5-methyl-naphthalene-1-carboxylate Openeye Name: [(1S)-2-[[(E,3S,4R)-1-(acetonylcarbamoyl)-3-acetoxy-4-[(2S)-aziridin-2-yl]-2-bromo-4-triethylsilyloxy-but-1-enyl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxo-ethyl] 3-methoxy-5-methyl-naphthalene-1-carboxylate CAS Name: 3-methoxy-5-methyl-1-naphthalenecarboxylic acid [(1S)-2-[[(E,4S,5R)-4-acetyloxy-5-[(2S)-2-aziridinyl]-3-bromo-1-oxo-1-(2-oxopropylamino)-5-triethylsilyloxypent-2-en-2-yl]amino]-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl] ester IUPAC Name: [(1S)-2-[[(E,4S,5R)-4-acetyloxy-5-[(2S)-aziridin-2-yl]-3-bromo-1-oxo-1-(2-oxopropylamino)-5-triethylsilyloxypent-2-en-2-yl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate Traditional Name: 3-methoxy-5-methyl-naphthalene-1-carboxylic acid [(1S)-2-[[(E,3S,4R)-1-(acetonylcarbamoyl)-3-acetoxy-2-bromo-4-[(2S)-ethylenimin-2-yl]-4-triethylsilyloxy-but-1-enyl]amino]-2-keto-1-[(2S)-2-methyloxiran-2-yl]ethyl] ester Formula: C36H48BrN3O10Si MolecularWeight: 790.76992

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Descriptors Computed from Structure

Canonical SMILES:

CC[Si](CC)(CC)OC(C1CN1)C(C(=C(C(=O)NCC(=O)C)NC(=O)C(C2(CO2)C)OC(=O)C3=C4C=CC=C(C4=CC(=C3)OC)C)Br)OC(=O)C

Isomeric SMILES

CC[Si](CC)(CC)O[C@H]([C@@H]1CN1)[C@@H](/C(=C(/C(=O)NCC(=O)C)\NC(=O)[C@H]([C@@]2(CO2)C)OC(=O)C3=C4C=CC=C(C4=CC(=C3)OC)C)/Br)OC(=O)C

InChI

InChI=1S/C36H48BrN3O10Si/c1-9-51(10-2,11-3)50-30(27-18-38-27)31(48-22(6)42)28(37)29(33(43)39-17-21(5)41)40-34(44)32(36(7)19-47-36)49-35(45)26-16-23(46-8)15-25-20(4)13-12-14-24(25)26/h12-16,27,30-32,38H,9-11,17-19H2,1-8H3,(H,39,43)(H,40,44)/b29-28+/t27-,30+,31+,32+,36-/m0/s1