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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H57N3O11Si
Molecular Weight 808.001
Optical Activity ( + )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Propen-1-yl (1R,2R,4R,5S)-3-[(1R)-2-(acetyloxy)-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,2,3,4,5,6-hexahydro-9-methoxy-8-methyl-10-(2-propen-1-yloxy)-1,5-imino-3-benzazocine-

SMILES

COCOC1=CC([C@H](COC(C)=O)N2[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]3N([C@@H](CC4=CC(C)=C(OC)C(OCC=C)=C34)[C@@H]2C#N)C(=O)OCC=C)=C5OCOC5=C1C

InChI

InChIKey=VRIHBDAWYITHKD-XOSLRORVSA-N
InChI=1S/C42H57N3O11Si/c1-13-15-50-40-35-28(17-25(3)37(40)49-10)18-30-31(20-43)44(33(22-56-57(11,12)42(6,7)8)36(35)45(30)41(47)51-16-14-2)32(21-52-27(5)46)29-19-34(53-23-48-9)26(4)38-39(29)55-24-54-38/h13-14,17,19,30-33,36H,1-2,15-16,18,21-24H2,3-12H3/t30-,31-,32-,33-,36-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-Propen-1-yl (1R,2R,4R,5S)-3-[(1R)-2-(acetyloxy)-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,2,3,4,5,6-hexahydro-9-methoxy-8-methyl-10-(2-propen-1-yloxy)-1,5-imino-3-benzazocine-
Systematic Name English
1,5-Imino-3-benzazocine-11-carboxylic acid, 3-[(1R)-2-(acetyloxy)-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,2,3,4,5,6-hexahydro-9-methoxy-8-methyl-10-(2-propen-1-yloxy)-, 2-prop
Preferred Name English
Code System Code Type Description
PUBCHEM
11600304
Created by admin on Wed Apr 02 20:04:23 GMT 2025 , Edited by admin on Wed Apr 02 20:04:23 GMT 2025
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CAS
874758-65-3
Created by admin on Wed Apr 02 20:04:23 GMT 2025 , Edited by admin on Wed Apr 02 20:04:23 GMT 2025
PRIMARY
FDA UNII
JJ2AYH4DY8
Created by admin on Wed Apr 02 20:04:23 GMT 2025 , Edited by admin on Wed Apr 02 20:04:23 GMT 2025
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