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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 Ethyl (?R,1R,2R,4R,5S)-4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,4,5,6-tetrahydro-9-methoxy-?-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-8-methyl-10-(2-propen-1-yloxy)-11-[(2-propen-1-yloxy)carbonyl]-1,5-imino-3-benzazocine-3(2H

SMILES

CCOC(=O)[C@H](N1[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2N([C@@H](CC3=CC(C)=C(OC)C(OCC=C)=C23)[C@@H]1C#N)C(=O)OCC=C)C4=C5OCOC5=C(C)C(OCOC)=C4

InChI

InChIKey=NDKPXZJIKLIUSF-RSORRPJOSA-N
InChI=1S/C42H57N3O11Si/c1-13-16-51-39-33-27(18-25(4)36(39)49-10)19-29-30(21-43)44(31(22-56-57(11,12)42(6,7)8)35(33)45(29)41(47)52-17-14-2)34(40(46)50-15-3)28-20-32(53-23-48-9)26(5)37-38(28)55-24-54-37/h13-14,18,20,29-31,34-35H,1-2,15-17,19,22-24H2,3-12H3/t29-,30-,31-,34+,35-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Ethyl (?R,1R,2R,4R,5S)-4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,4,5,6-tetrahydro-9-methoxy-?-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-8-methyl-10-(2-propen-1-yloxy)-11-[(2-propen-1-yloxy)carbonyl]-1,5-imino-3-benzazocine-3(2H
Systematic Name English
1,5-Imino-3-benzazocine-3(2H)-acetic acid, 4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,4,5,6-tetrahydro-9-methoxy-?-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-8-methyl-10-(2-propen-1-yloxy)-11-[(2-propen-1-yloxy)carbonyl]-, ethyl
Preferred Name English
Code System Code Type Description
CAS
874758-64-2
Created by admin on Wed Apr 02 20:10:57 GMT 2025 , Edited by admin on Wed Apr 02 20:10:57 GMT 2025
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FDA UNII
Y8433UD7JD
Created by admin on Wed Apr 02 20:10:57 GMT 2025 , Edited by admin on Wed Apr 02 20:10:57 GMT 2025
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PUBCHEM
11621973
Created by admin on Wed Apr 02 20:10:57 GMT 2025 , Edited by admin on Wed Apr 02 20:10:57 GMT 2025
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