Evategrel

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26ClNO7S
Molecular Weight	471.952
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@@H](N1CC[C@@H](SCOC(=O)OC(C)C)\C(C1)=C/C(O)=O)C2=CC=CC=C2Cl

InChI

InChIKey=JIHSKBXKKCQDED-DIJKAEOVSA-N

InChI=1S/C21H26ClNO7S/c1-13(2)30-21(27)29-12-31-17-8-9-23(11-14(17)10-18(24)25)19(20(26)28-3)15-6-4-5-7-16(15)22/h4-7,10,13,17,19H,8-9,11-12H2,1-3H3,(H,24,25)/b14-10-/t17-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H26ClNO7S
Molecular Weight	471.952
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:57:55 GMT 2025` Edited by `admin` on `Wed Apr 02 16:57:55 GMT 2025`
Record UNII	9FKJ76ZX22
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

evategrel [INN]

Preferred Name

English

Evategrel

Official Name

English

1-Piperidineacetic acid, 3-(carboxymethylene)-?-(2-chlorophenyl)-4-[[[[(1-methylethoxy)carbonyl]oxy]methyl]thio]-, 1-methyl ester, (?S,3Z,4R)-

Systematic Name

English

1-Methyl (?S,3Z,4R)-3-(carboxymethylene)-?-(2-chlorophenyl)-4-[[[[(1-methylethoxy)carbonyl]oxy]methyl]thio]-1-piperidineacetate

Systematic Name

English

(Z)-[(4R)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-{[({[(propan-2-yl)oxy]carbonyl}oxy)methyl]sulfanyl}piperidin-3-ylidene]acetic acid

Systematic Name

English

Code System Code Type Description

INN

13143