ILEPATRIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28N2O5S
Molecular Weight	432.533
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCC[C@H](N1C(=O)[C@H](CC3=CC=CC=C23)NC(=O)[C@@H](SC(C)=O)C(C)C)C(O)=O

InChI

InChIKey=FXKFFTMLFPWYFH-RDGPPVDQSA-N

InChI=1S/C22H28N2O5S/c1-12(2)19(30-13(3)25)20(26)23-16-11-14-7-4-5-8-15(14)17-9-6-10-18(22(28)29)24(17)21(16)27/h4-5,7-8,12,16-19H,6,9-11H2,1-3H3,(H,23,26)(H,28,29)/t16-,17+,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H28N2O5S
Molecular Weight	432.533
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:13:20 UTC 2023` Edited by `admin` on `Fri Dec 15 17:13:20 UTC 2023`
Record UNII	5N1YAP5FCM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ILEPATRIL

Official Name

English

AVE7688

Code

English

ilepatril [INN]

Common Name

English

AVE-7688

Code

English

(4S,7S,12BR)-7-((2S)-2-(ACETYLSULFANYL)-3-METHYLBUTANAMIDO)-6-OXO-1,2,3,4,6,7,8,12B-OCTAHYDROPYRIDO(2,1-A)(2)BENZAZEPINE-4-CARBOXYLIC ACID

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C270