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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H25F4N5O8S
Molecular Weight 619.543
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-.GAMMA.-GLUTAMYL-S-((4S)-4-(CYCLOPROPYLETHYNYL)-5-FLUORO-1,2,3,4-TETRAHYDRO-6-HYDROXY-2-OXO-4-(TRIFLUOROMETHYL)-7-QUINAZOLINYL)-L-CYSTEINYL-GLYCINE

SMILES

N[C@@H](CCC(=O)N[C@@H](CSC1=C(O)C(F)=C2C(NC(=O)N[C@]2(C#CC3CC3)C(F)(F)F)=C1)C(=O)NCC(O)=O)C(O)=O

InChI

InChIKey=JWIYRJGTRFKLID-HNDXJFMUSA-N
InChI=1S/C24H25F4N5O8S/c25-18-17-12(32-22(41)33-23(17,24(26,27)28)6-5-10-1-2-10)7-14(19(18)37)42-9-13(20(38)30-8-16(35)36)31-15(34)4-3-11(29)21(39)40/h7,10-11,13,37H,1-4,8-9,29H2,(H,30,38)(H,31,34)(H,35,36)(H,39,40)(H2,32,33,41)/t11-,13-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H25F4N5O8S
Molecular Weight 619.543
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 16:34:52 UTC 2023
Edited
by admin
on Sat Dec 16 16:34:52 UTC 2023
Record UNII
8F6OWE6BHP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-.GAMMA.-GLUTAMYL-S-((4S)-4-(CYCLOPROPYLETHYNYL)-5-FLUORO-1,2,3,4-TETRAHYDRO-6-HYDROXY-2-OXO-4-(TRIFLUOROMETHYL)-7-QUINAZOLINYL)-L-CYSTEINYL-GLYCINE
Systematic Name English
DPC-963 METABOLITE M5
Common Name English
GLYCINE, L-.GAMMA.-GLUTAMYL-S-((4S)-4-(CYCLOPROPYLETHYNYL)-5-FLUORO-1,2,3,4-TETRAHYDRO-6-HYDROXY-2-OXO-4-(TRIFLUOROMETHYL)-7-QUINAZOLINYL)-L-CYSTEINYL-
Systematic Name English
Code System Code Type Description
CAS
410090-43-6
Created by admin on Sat Dec 16 16:34:53 UTC 2023 , Edited by admin on Sat Dec 16 16:34:53 UTC 2023
PRIMARY
PUBCHEM
154824281
Created by admin on Sat Dec 16 16:34:53 UTC 2023 , Edited by admin on Sat Dec 16 16:34:53 UTC 2023
PRIMARY
FDA UNII
8F6OWE6BHP
Created by admin on Sat Dec 16 16:34:53 UTC 2023 , Edited by admin on Sat Dec 16 16:34:53 UTC 2023
PRIMARY
Related Record Type Details
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