(2R)-2-ACETAMIDO-3-((4E)-4-((3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)IMINO)-3-OXO-BUTYL)SULFANYLPROPANOIC ACID

Details

Stereochemistry	EPIMERIC
Molecular Formula	C14H23N3O6S2
Molecular Weight	393.479
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (2R)-2-ACETAMIDO-3-((4E)-4-((3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)IMINO)-3-OXO-BUTYL)SULFANYLPROPANOIC ACID

Structure Search

SMILES

CC1CS(=O)(=O)CCN1\N=C\C(=O)CCSC[C@H](NC(C)=O)C(O)=O

InChI

InChIKey=VMJPACANYZLDSX-VVQUDCGKSA-N

InChI=1S/C14H23N3O6S2/c1-10-9-25(22,23)6-4-17(10)15-7-12(19)3-5-24-8-13(14(20)21)16-11(2)18/h7,10,13H,3-6,8-9H2,1-2H3,(H,16,18)(H,20,21)/b15-7+/t10?,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H23N3O6S2
Molecular Weight	393.479
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:46:38 GMT 2025` Edited by `admin` on `Wed Apr 02 09:46:38 GMT 2025`
Record UNII	GR9A2C3NUO
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NIFURTIMOX METABOLITE M-8

Preferred Name

English

(2R)-2-ACETAMIDO-3-((4E)-4-((3-METHYL-1,1-DIOXO-1,4-THIAZINAN-4-YL)IMINO)-3-OXO-BUTYL)SULFANYLPROPANOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

165412061

Created by admin on Wed Apr 02 09:46:38 GMT 2025 , Edited by admin on Wed Apr 02 09:46:38 GMT 2025

PRIMARY

FDA UNII

GR9A2C3NUO

Created by admin on Wed Apr 02 09:46:38 GMT 2025 , Edited by admin on Wed Apr 02 09:46:38 GMT 2025

PRIMARY

Related Record Type Details


					M84I3K7C2O

NIFURTIMOX

PARENT -> METABOLITE

Qualification:

URINE