METHYL N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINATE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22N2O2.ClH
Molecular Weight	358.862
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINATE HYDROCHLORIDE

Structure Search

SMILES

Cl.COC(=O)[C@@H](NCC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(C)C

InChI

InChIKey=AZQXUWUZQLZNIM-FYZYNONXSA-N

InChI=1S/C20H22N2O2.ClH/c1-14(2)19(20(23)24-3)22-13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21;/h4-11,14,19,22H,13H2,1-3H3;1H/t19-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C20H22N2O2
Molecular Weight	322.4009
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:40:16 GMT 2025` Edited by `admin` on `Wed Apr 02 11:40:16 GMT 2025`
Record UNII	TM6Z9X8JN4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINATE HYDROCHLORIDE

Systematic Name

English

(S)-METHYL 2-(((2'-CYANO-(1,1'-BIPHENYL)-4-YL)METHYL)AMINO)-3-METHYLBUTANOATE HYDROCHLORIDE

Preferred Name

English

L-VALINE, N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-, METHYL ESTER, HYDROCHLORIDE (1:1)

Systematic Name

English

N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINE METHYL ESTER HYDROCHLORIDE (1:1)

Common Name

English

L-VALINE, N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-, METHYL ESTER, MONOHYDROCHLORIDE

Common Name

English

Code System Code Type Description

PUBCHEM

16744793

Created by admin on Wed Apr 02 11:40:16 GMT 2025 , Edited by admin on Wed Apr 02 11:40:16 GMT 2025

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EPA CompTox

DTXSID90587774

Created by admin on Wed Apr 02 11:40:16 GMT 2025 , Edited by admin on Wed Apr 02 11:40:16 GMT 2025

PRIMARY

FDA UNII

TM6Z9X8JN4

Created by admin on Wed Apr 02 11:40:16 GMT 2025 , Edited by admin on Wed Apr 02 11:40:16 GMT 2025

PRIMARY

CAS

482577-59-3

Created by admin on Wed Apr 02 11:40:16 GMT 2025 , Edited by admin on Wed Apr 02 11:40:16 GMT 2025

PRIMARY

Related Record Type Details


					13EG6HX8ND

METHYL N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINATE

PARENT -> SALT/SOLVATE

Amount: