Z-13752A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22N2O3S2
Molecular Weight	426.552
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)[C@H](CC1=CC=C(C=C1)C2=NC=CS2)NC(=O)[C@@H](CS)CC3=CC=CC=C3

InChI

InChIKey=YPGILAVWVRBSAJ-MOPGFXCFSA-N

InChI=1S/C22H22N2O3S2/c25-20(18(14-28)12-15-4-2-1-3-5-15)24-19(22(26)27)13-16-6-8-17(9-7-16)21-23-10-11-29-21/h1-11,18-19,28H,12-14H2,(H,24,25)(H,26,27)/t18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H22N2O3S2
Molecular Weight	426.552
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:32:36 GMT 2023` Edited by `admin` on `Sat Dec 16 01:32:36 GMT 2023`
Record UNII	BQ6MLC7LBT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Z-13752A

Code

English

GW-660511X

Common Name

English

(S)-2-((S)-2-BENZYL-3-MERCAPTOPROPANAMIDO)-3-(4-(THIAZOL-2-YL)PHENYL)PROPANOIC ACID

Systematic Name

English

N-((2S)-2-(MERCAPTOMETHYL)-1-OXO-3-PHENYLPROPYL)-4-(2-THIAZOLYL)-L-PHENYLALANINE

Systematic Name

English

L-PHENYLALANINE, N-((2S)-2-(MERCAPTOMETHYL)-1-OXO-3-PHENYLPROPYL)-4-(2-THIAZOLYL)-

Systematic Name

English

(2S)-2-(((2S)-2-BENZYL-3-SULFANYL-PROPANOYL)AMINO)-3-(4-THIAZOL-2-YLPHENYL)PROPANOIC ACID

Systematic Name

English

Z13752A

Code

English

Code System Code Type Description

CAS

193420-09-6

Created by admin on Sat Dec 16 01:32:36 GMT 2023 , Edited by admin on Sat Dec 16 01:32:36 GMT 2023

PRIMARY

EPA CompTox

DTXSID801134212

Created by admin on Sat Dec 16 01:32:36 GMT 2023 , Edited by admin on Sat Dec 16 01:32:36 GMT 2023

PRIMARY

FDA UNII

BQ6MLC7LBT

Created by admin on Sat Dec 16 01:32:36 GMT 2023 , Edited by admin on Sat Dec 16 01:32:36 GMT 2023

PRIMARY

PUBCHEM

9888720

Created by admin on Sat Dec 16 01:32:36 GMT 2023 , Edited by admin on Sat Dec 16 01:32:36 GMT 2023

PRIMARY

Related Record Type Details


					BQ6MLC7LBT

Z-13752A

ACTIVE MOIETY

Comments:

GW660511X 200 mg significantly lowered (baseline and placebo-corrected) both trough mean cuff SBP (-8.00 mm Hg, P=0.002) and DBP (-5.38 mm Hg, P=0.003).