5-Methyl hydrogen N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamate sodium

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22N5O6.Na
Molecular Weight	463.419
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Methyl hydrogen N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamate sodium

Structure Search

SMILES

[Na+].COC(=O)CC[C@H](NC(=O)C1=CC=C(CCC2=CNC3=C2C(=O)N=C(N)N3)C=C1)C([O-])=O

InChI

InChIKey=HLLKREXRWOUSET-UQKRIMTDSA-M

InChI=1S/C21H23N5O6.Na/c1-32-15(27)9-8-14(20(30)31)24-18(28)12-5-2-11(3-6-12)4-7-13-10-23-17-16(13)19(29)26-21(22)25-17;/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,24,28)(H,30,31)(H4,22,23,25,26,29);/q;+1/p-1/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C21H22N5O6
Molecular Weight	440.4293
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:54:58 GMT 2025` Edited by `admin` on `Wed Apr 02 18:54:58 GMT 2025`
Record UNII	N57GQA4XWC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, 5-methyl ester, sodium salt (1:1)

Preferred Name

English

5-Methyl hydrogen N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamate sodium

Systematic Name

English

Code System Code Type Description

PUBCHEM

143956988

Created by admin on Wed Apr 02 18:54:58 GMT 2025 , Edited by admin on Wed Apr 02 18:54:58 GMT 2025

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CAS

1265908-60-8

Created by admin on Wed Apr 02 18:54:58 GMT 2025 , Edited by admin on Wed Apr 02 18:54:58 GMT 2025

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FDA UNII

N57GQA4XWC

Created by admin on Wed Apr 02 18:54:58 GMT 2025 , Edited by admin on Wed Apr 02 18:54:58 GMT 2025

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