J-104871

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H32N2O12
Molecular Weight	708.6669
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]([C@H](C\C=C\C1=NC2=C(O1)C=CC=C2)C3=CC=C4OCOC4=C3)N(CC5=CC=C6C=CC=CC6=C5)C(=O)[C@H]7OC(O[C@H]7C(O)=O)(C(O)=O)C(O)=O

InChI

InChIKey=CXDSZFRIMJUZKT-MRGWGSTCSA-N

InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/b12-6+/t21-,26+,32+,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C38H32N2O12
Molecular Weight	708.6669
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:54:35 GMT 2025` Edited by `admin` on `Mon Mar 31 21:54:35 GMT 2025`
Record UNII	6137X5QNJF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

J-104135

Preferred Name

English

J-104871

Common Name

English

1,3-DIOXOLANE-2,2,4-TRICARBOXYLIC ACID, 5-(((2-(1,3-BENZODIOXOL-5-YL)-5-(2-BENZOXAZOLYL)-1-METHYL-4-PENTENYL)(2-NAPHTHALENYLMETHYL)AMINO)CARBONYL)-, (4R-(4.ALPHA.,5.ALPHA.(1R*,2R*,4E)))-

Systematic Name

English

1,3-DIOXOLANE-2,2,4-TRICARBOXYLIC ACID, 5-((((1R,2R,4E)-2-(1,3-BENZODIOXOL-5-YL)-5-(2-BENZOXAZOLYL)-1-METHYL-4-PENTEN-1-YL)(2-NAPHTHALENYLMETHYL)AMINO)CARBONYL)-, (4R,5S)-

Systematic Name

English

1,3-DIOXOLANE-2,2,4-TRICARBOXYLIC ACID, 5-((((1R,2R,4E)-2-(1,3-BENZODIOXOL-5-YL)-5-(2-BENZOXAZOLYL)-1-METHYL-4-PENTENYL)(2-NAPHTHALENYLMETHYL)AMINO)CARBONYL)-, (4R,5S)-

Systematic Name

English

Code System Code Type Description

CAS

587021-49-6

Created by admin on Mon Mar 31 21:54:35 GMT 2025 , Edited by admin on Mon Mar 31 21:54:35 GMT 2025

SUPERSEDED

FDA UNII

6137X5QNJF

Created by admin on Mon Mar 31 21:54:35 GMT 2025 , Edited by admin on Mon Mar 31 21:54:35 GMT 2025

PRIMARY

CAS

191088-19-4

Created by admin on Mon Mar 31 21:54:35 GMT 2025 , Edited by admin on Mon Mar 31 21:54:35 GMT 2025

PRIMARY

PUBCHEM

9962301

Created by admin on Mon Mar 31 21:54:35 GMT 2025 , Edited by admin on Mon Mar 31 21:54:35 GMT 2025

PRIMARY

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					6137X5QNJF

J-104871

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