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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H20N4O7S
Molecular Weight 364.375
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-(N-METHYLCARBAMOYL)GLUTATHIONE

SMILES

CNC(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

InChI

InChIKey=ROWIKVIWEBGFSY-BQBZGAKWSA-N
InChI=1S/C12H20N4O7S/c1-14-12(23)24-5-7(10(20)15-4-9(18)19)16-8(17)3-2-6(13)11(21)22/h6-7H,2-5,13H2,1H3,(H,14,23)(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t6-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H20N4O7S
Molecular Weight 364.375
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 14:24:27 GMT 2023
Edited
by admin
on Sat Dec 16 14:24:27 GMT 2023
Record UNII
FH7D8R2R6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-(N-METHYLCARBAMOYL)GLUTATHIONE
Common Name English
LAROMUSTINE METABOLITE M4
Common Name English
S-(N-METHYLCARBAMOYL)GSH
Common Name English
GLYCINE, N-(N-L-.GAMMA.-GLUTAMYL-S-((METHYLAMINO)CARBONYL)-L-CYSTEINYL)-
Common Name English
L-.GAMMA.-GLUTAMYL-S-((METHYLAMINO)CARBONYL)-L-CYSTEINYLGLYCINE
Common Name English
(2S)-2-AMINO-5-(((1R)-2-(CARBOXYMETHYLAMINO)-1-(METHYLCARBAMOYLSULFANYLMETHYL)-2-OXO-ETHYL)AMINO)-5-OXO-PENTANOIC ACID
Systematic Name English
GLYCINE, L-.GAMMA.-GLUTAMYL-S-((METHYLAMINO)CARBONYL)-L-CYSTEINYL-
Common Name English
Code System Code Type Description
PUBCHEM
115170
Created by admin on Sat Dec 16 14:24:27 GMT 2023 , Edited by admin on Sat Dec 16 14:24:27 GMT 2023
PRIMARY
CAS
38126-73-7
Created by admin on Sat Dec 16 14:24:27 GMT 2023 , Edited by admin on Sat Dec 16 14:24:27 GMT 2023
PRIMARY
FDA UNII
FH7D8R2R6E
Created by admin on Sat Dec 16 14:24:27 GMT 2023 , Edited by admin on Sat Dec 16 14:24:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID90191537
Created by admin on Sat Dec 16 14:24:27 GMT 2023 , Edited by admin on Sat Dec 16 14:24:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE