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-1,2,3,4,5,6-hexahydro-2-(hydroxymethyl)-9-methoxy-8-methyl-10-(2-propen-1-yloxy)-1,5-imino-3-benzazocine-11-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H43N3O11
Molecular Weight	693.7401
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-1,2,3,4,5,6-hexahydro-2-(hydroxymethyl)-9-methoxy-8-methyl-10-(2-propen-1-yloxy)-1,5-imino-3-benzazocine-11-carboxylate

Structure Search

SMILES

COCOC1=CC([C@H](COC(C)=O)N2[C@@H](CO)[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=WZBVBDVCIQAOTP-RIOXTBHYSA-N

InChI=1S/C36H43N3O11/c1-8-10-45-35-30-23(12-20(3)32(35)44-7)13-25-26(15-37)38(27(16-40)31(30)39(25)36(42)46-11-9-2)28(17-47-22(5)41)24-14-29(48-18-43-6)21(4)33-34(24)50-19-49-33/h8-9,12,14,25-28,31,40H,1-2,10-11,13,16-19H2,3-7H3/t25-,26-,27-,28-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H43N3O11
Molecular Weight	693.7401
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:25:05 GMT 2025` Edited by `admin` on `Wed Apr 02 20:25:05 GMT 2025`
Record UNII	4YU9TH25K6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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-1,2,3,4,5,6-hexahydro-2-(hydroxymethyl)-9-methoxy-8-methyl-10-(2-propen-1-yloxy)-, 2-propen-1-yl ester, (1R,2R,4R,5S)-

Preferred Name

English

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-1,2,3,4,5,6-hexahydro-2-(hydroxymethyl)-9-methoxy-8-methyl-10-(2-propen-1-yloxy)-1,5-imino-3-benzazocine-11-carboxylate

Systematic Name

English

Code System Code Type Description

PUBCHEM

129626461

Created by admin on Wed Apr 02 20:25:05 GMT 2025 , Edited by admin on Wed Apr 02 20:25:05 GMT 2025

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CAS

874758-78-8

Created by admin on Wed Apr 02 20:25:05 GMT 2025 , Edited by admin on Wed Apr 02 20:25:05 GMT 2025

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FDA UNII

4YU9TH25K6

Created by admin on Wed Apr 02 20:25:05 GMT 2025 , Edited by admin on Wed Apr 02 20:25:05 GMT 2025

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