(S)-Isopropyl 2-(((R)-((((S)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)amino)propanoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H29N6O5P
Molecular Weight	476.4659
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (S)-Isopropyl 2-(((R)-((((S)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)amino)propanoate

Structure Search

SMILES

CC(C)OC(=O)[C@H](C)N[P@@](=O)(CO[C@@H](C)CN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3

InChI

InChIKey=LDEKQSIMHVQZJK-XRTHXLFNSA-N

InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H29N6O5P
Molecular Weight	476.4659
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:07:29 GMT 2025` Edited by `admin` on `Wed Apr 02 15:07:29 GMT 2025`
Record UNII	7ME2YT2DS7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-Isopropyl 2-(((R)-((((S)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)amino)propanoate

Preferred Name

English

Code System Code Type Description

PUBCHEM

68959672

Created by admin on Wed Apr 02 15:07:29 GMT 2025 , Edited by admin on Wed Apr 02 15:07:29 GMT 2025

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FDA UNII

7ME2YT2DS7

Created by admin on Wed Apr 02 15:07:29 GMT 2025 , Edited by admin on Wed Apr 02 15:07:29 GMT 2025

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