Sodium (2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino](4-hydroxyphenyl)methyl]-5-hydroxypentanoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H22F2NO4.Na
Molecular Weight	449.4224
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium (2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino](4-hydroxyphenyl)methyl]-5-hydroxypentanoate

Structure Search

SMILES

[Na+].O[C@@H](CC[C@H]([C@H](NC1=CC=C(F)C=C1)C2=CC=C(O)C=C2)C([O-])=O)C3=CC=C(F)C=C3

InChI

InChIKey=KZJBZXOASLIQKH-HZLAGBECSA-M

InChI=1S/C24H23F2NO4.Na/c25-17-5-1-15(2-6-17)22(29)14-13-21(24(30)31)23(16-3-11-20(28)12-4-16)27-19-9-7-18(26)8-10-19;/h1-12,21-23,27-29H,13-14H2,(H,30,31);/q;+1/p-1/t21-,22+,23-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C24H22F2NO4
Molecular Weight	426.4326
Charge	-1
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 19:33:56 GMT 2025` Edited by `admin` on `Wed Apr 02 19:33:56 GMT 2025`
Record UNII	VP89AHQ4ZL
Record Status	`Validated (UNII)`
Record Version

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Language

Sodium (2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino](4-hydroxyphenyl)methyl]-5-hydroxypentanoate

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Code System Code Type Description

FDA UNII

VP89AHQ4ZL

Created by admin on Wed Apr 02 19:33:56 GMT 2025 , Edited by admin on Wed Apr 02 19:33:56 GMT 2025

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PUBCHEM

139024941

Created by admin on Wed Apr 02 19:33:56 GMT 2025 , Edited by admin on Wed Apr 02 19:33:56 GMT 2025

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CAS

2514543-26-9

Created by admin on Wed Apr 02 19:33:56 GMT 2025 , Edited by admin on Wed Apr 02 19:33:56 GMT 2025

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(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino](4-hydroxyphenyl)methyl]-5-hydroxypentanic acid

PARENT -> SALT/SOLVATE

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