[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2R)-2-amino-3-methylbutanoate

Details

Stereochemistry	EPIMERIC
Molecular Formula	C14H22N6O5
Molecular Weight	354.3617
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2R)-2-amino-3-methylbutanoate

Structure Search

SMILES

CC(C)[C@@H](N)C(=O)OCC(CO)OCN1C=NC2=C1N=C(N)NC2=O

InChI

InChIKey=WPVFJKSGQUFQAP-YGPZHTELSA-N

InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H22N6O5
Molecular Weight	354.3617
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:30:13 GMT 2025` Edited by `admin` on `Wed Apr 02 17:30:13 GMT 2025`
Record UNII	5JV5K57KJN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2R)-2-amino-3-methylbutanoate

Common Name

English

D-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester

Preferred Name

English

Code System Code Type Description

FDA UNII

5JV5K57KJN

Created by admin on Wed Apr 02 17:30:13 GMT 2025 , Edited by admin on Wed Apr 02 17:30:13 GMT 2025

PRIMARY

CAS

1394000-00-0

Created by admin on Wed Apr 02 17:30:13 GMT 2025 , Edited by admin on Wed Apr 02 17:30:13 GMT 2025

PRIMARY

PUBCHEM

135544016

Created by admin on Wed Apr 02 17:30:13 GMT 2025 , Edited by admin on Wed Apr 02 17:30:13 GMT 2025

PRIMARY