GRL-98065

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N2O9S
Molecular Weight	576.658
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)C4=CC=C5OCOC5=C4

InChI

InChIKey=HNEIRZJZTYYDES-VPZBFSRCSA-N

InChI=1S/C28H36N2O9S/c1-18(2)14-30(40(33,34)20-8-9-24-25(13-20)38-17-37-24)15-23(31)22(12-19-6-4-3-5-7-19)29-28(32)39-26-16-36-27-21(26)10-11-35-27/h3-9,13,18,21-23,26-27,31H,10-12,14-17H2,1-2H3,(H,29,32)/t21-,22-,23+,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H36N2O9S
Molecular Weight	576.658
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 `Mon Mar 31 23:03:45 GMT 2025` Edited by `admin` on `Mon Mar 31 23:03:45 GMT 2025`
Record UNII	56KM3SKC8G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GRL-98065

Code

English

GRL98065

Preferred Name

English

(3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL N-((1S,2R)-3-((1,3-BENZODIOXOL-5-YLSULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)CARBAMATE

Systematic Name

English

CARBAMIC ACID, ((1S,2R)-3-((1,3-BENZODIOXOL-5-YLSULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-, (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER

Systematic Name

English

CARBAMIC ACID, N-((1S,2R)-3-((1,3-BENZODIOXOL-5-YLSULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-, (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

56KM3SKC8G

Created by admin on Mon Mar 31 23:03:45 GMT 2025 , Edited by admin on Mon Mar 31 23:03:45 GMT 2025

PRIMARY

CAS

333798-27-9

Created by admin on Mon Mar 31 23:03:45 GMT 2025 , Edited by admin on Mon Mar 31 23:03:45 GMT 2025

PRIMARY

PUBCHEM

457409

Created by admin on Mon Mar 31 23:03:45 GMT 2025 , Edited by admin on Mon Mar 31 23:03:45 GMT 2025

PRIMARY

Related Record Type Details


					56KM3SKC8G

GRL-98065

ACTIVE MOIETY