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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H23N5O8S2
Molecular Weight 441.48
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of L-.GAMMA.-GLUTAMYL-S-(2-(2-(METHYLSULFONYL)HYDRAZINYLIDENE)ETHYL)-L-CYSTEINYL-GLYCINE

SMILES

CS(=O)(=O)N\N=C\CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

InChI

InChIKey=SRMQLZXHFVWTLI-WNBZOWPRSA-N
InChI=1S/C13H23N5O8S2/c1-28(25,26)18-16-4-5-27-7-9(12(22)15-6-11(20)21)17-10(19)3-2-8(14)13(23)24/h4,8-9,18H,2-3,5-7,14H2,1H3,(H,15,22)(H,17,19)(H,20,21)(H,23,24)/b16-4+/t8-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H23N5O8S2
Molecular Weight 441.48
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 Sat Dec 16 14:58:56 GMT 2023
Edited
by admin
on Sat Dec 16 14:58:56 GMT 2023
Record UNII
VU9ZH59QK2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-.GAMMA.-GLUTAMYL-S-(2-(2-(METHYLSULFONYL)HYDRAZINYLIDENE)ETHYL)-L-CYSTEINYL-GLYCINE
Common Name English
GLYCINE, L-.GAMMA.-GLUTAMYL-S-(2-(2-(METHYLSULFONYL)HYDRAZINYLIDENE)ETHYL)-L-CYSTEINYL-
Common Name English
VNP-4090CE METABOLITE M5
Common Name English
(2S)-2-AMINO-5-(((1R)-2-(CARBOXYMETHYLAMINO)-1-(((2E)-2-(METHYLSULFONYLHYDRAZONO)ETHYL)SULFANYLMETHYL)-2-OXO-ETHYL)AMINO)-5-OXO-PENTANOIC ACID
Systematic Name English
LAROMUSTINE METABOLITE M5
Common Name English
S-(2-(2-(METHYLSULFONYL)HYDRAZINYLIDENE)ETHYL)GLUTATHIONE
Common Name English
S-(2-(2-(METHYLSULFONYL)HYDRAZINYLIDENE)ETHYL)GSH
Common Name English
Code System Code Type Description
PUBCHEM
155804708
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY PUBCHEM
FDA UNII
VU9ZH59QK2
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
CAS
1290069-64-5
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PARENT -> METABOLITE