(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-((5-ISOPROPYL-4-(2-METHYL-4-(3-(NEOPENTYLAMINO)PROPOXY)BENZYL)-1H-PYRAZOL-3-YL)OXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H45N3O7
Molecular Weight	535.6728
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-((5-ISOPROPYL-4-(2-METHYL-4-(3-(NEOPENTYLAMINO)PROPOXY)BENZYL)-1H-PYRAZOL-3-YL)OXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL

Structure Search

SMILES

CC(C)C1=C(CC2=CC=C(OCCCNCC(C)(C)C)C=C2C)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=NN1

InChI

InChIKey=BYERKRNJPABGHF-FOORKGQUSA-N

InChI=1S/C28H45N3O7/c1-16(2)22-20(26(31-30-22)38-27-25(35)24(34)23(33)21(14-32)37-27)13-18-8-9-19(12-17(18)3)36-11-7-10-29-15-28(4,5)6/h8-9,12,16,21,23-25,27,29,32-35H,7,10-11,13-15H2,1-6H3,(H,30,31)/t21-,23-,24+,25-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H45N3O7
Molecular Weight	535.6728
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 `Fri Dec 15 18:23:11 GMT 2023` Edited by `admin` on `Fri Dec 15 18:23:11 GMT 2023`
Record UNII	0T6DZ14EWQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-((5-ISOPROPYL-4-(2-METHYL-4-(3-(NEOPENTYLAMINO)PROPOXY)BENZYL)-1H-PYRAZOL-3-YL)OXY)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL

Systematic Name

English

Code System Code Type Description

FDA UNII

0T6DZ14EWQ

Created by admin on Fri Dec 15 18:23:11 GMT 2023 , Edited by admin on Fri Dec 15 18:23:11 GMT 2023

PRIMARY

PUBCHEM

76959211

Created by admin on Fri Dec 15 18:23:11 GMT 2023 , Edited by admin on Fri Dec 15 18:23:11 GMT 2023

PRIMARY

Related Record Type Details