2-Propen-1-yl (1R,3S)-3-[(acetyloxy)methyl]-1-[(1R)-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]-2-hydroxyethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propen-1-yloxy)-2(1H)-isoquinolinecarboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H48N2O13
Molecular Weight	728.7826
Optical Activity	( - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Propen-1-yl (1R,3S)-3-[(acetyloxy)methyl]-1-[(1R)-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]-2-hydroxyethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propen-1-yloxy)-2(1H)-isoquinolinecarboxylate

Structure Search

SMILES

CCOC(=O)[C@H](N[C@@H](CO)[C@@H]1N([C@H](COC(C)=O)CC2=CC(C)=C(OC)C(OCC=C)=C12)C(=O)OCC=C)C3=C4OCOC4=C(C)C(OCOC)=C3

InChI

InChIKey=ZQZKUMYJGHQVQV-JQFLLDSISA-N

InChI=1S/C37H48N2O13/c1-9-12-47-35-29-24(14-21(4)32(35)45-8)15-25(18-49-23(6)41)39(37(43)48-13-10-2)31(29)27(17-40)38-30(36(42)46-11-3)26-16-28(50-19-44-7)22(5)33-34(26)52-20-51-33/h9-10,14,16,25,27,30-31,38,40H,1-2,11-13,15,17-20H2,3-8H3/t25-,27-,30+,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H48N2O13
Molecular Weight	728.7826
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:12:27 GMT 2025` Edited by `admin` on `Wed Apr 02 20:12:27 GMT 2025`
Record UNII	DGP66J6WU9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2(1H)-Isoquinolinecarboxylic acid, 3-[(acetyloxy)methyl]-1-[(1R)-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]-2-hydroxyethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propen-1-yloxy)-, 2-propen-1-yl ester, (1R,3S)-

Preferred Name

English

2-Propen-1-yl (1R,3S)-3-[(acetyloxy)methyl]-1-[(1R)-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]-2-hydroxyethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propen-1-yloxy)-2(1H)-isoquinolinecarboxylate

Systematic Name

English

Code System Code Type Description

PUBCHEM

11693373

Created by admin on Wed Apr 02 20:12:27 GMT 2025 , Edited by admin on Wed Apr 02 20:12:27 GMT 2025

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FDA UNII

DGP66J6WU9

Created by admin on Wed Apr 02 20:12:27 GMT 2025 , Edited by admin on Wed Apr 02 20:12:27 GMT 2025

PRIMARY

CAS

874758-61-9

Created by admin on Wed Apr 02 20:12:27 GMT 2025 , Edited by admin on Wed Apr 02 20:12:27 GMT 2025

PRIMARY