AZD-3409 monoester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38FN3O3S2
Molecular Weight	547.748
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCC[C@H](NC(=O)C1=C(CCC2=CC=C(F)C=C2)C=CC(NC[C@@H]3C[C@H](S)CN3)=C1)C(=O)OC(C)C

InChI

InChIKey=HDLQRRXIAQRHPE-GNKBHMEESA-N

InChI=1S/C28H38FN3O3S2/c1-18(2)35-28(34)26(12-13-37-3)32-27(33)25-15-22(30-16-23-14-24(36)17-31-23)11-8-20(25)7-4-19-5-9-21(29)10-6-19/h5-6,8-11,15,18,23-24,26,30-31,36H,4,7,12-14,16-17H2,1-3H3,(H,32,33)/t23-,24-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H38FN3O3S2
Molecular Weight	547.748
Charge	0
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 `Sat Dec 16 19:21:43 UTC 2023` Edited by `admin` on `Sat Dec 16 19:21:43 UTC 2023`
Record UNII	YTE46SBE73
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AZD-3409 monoester

Common Name

English

N-[2-[2-(4-Fluorophenyl)ethyl]-5-[[[(2S,4S)-4-mercapto-2-pyrrolidinyl]methyl]amino]benzoyl]-L-methionine 1-methylethyl ester

Systematic Name

English

AZD3409 monoester

Common Name

English

L-Methionine, N-[2-[2-(4-fluorophenyl)ethyl]-5-[[[(2S,4S)-4-mercapto-2-pyrrolidinyl]methyl]amino]benzoyl]-, 1-methylethyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

YTE46SBE73

Created by admin on Sat Dec 16 19:21:44 UTC 2023 , Edited by admin on Sat Dec 16 19:21:44 UTC 2023

PRIMARY

PUBCHEM

24960848

Created by admin on Sat Dec 16 19:21:44 UTC 2023 , Edited by admin on Sat Dec 16 19:21:44 UTC 2023

PRIMARY

CAS

345915-22-2

Created by admin on Sat Dec 16 19:21:44 UTC 2023 , Edited by admin on Sat Dec 16 19:21:44 UTC 2023

PRIMARY

Related Record Type Details


					F99W9H5WUE

AZD-3409

PARENT -> METABOLITE

Comments:

Major circulating metabolite in plasma

Qualification:

PLASMA

Amount:


					2E5QZB8RZJ

ZM-343921

METABOLITE ACTIVE -> PRODRUG

Amount: