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Details

Stereochemistry EPIMERIC
Molecular Formula C24H26F5N5O8S
Molecular Weight 639.549
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-.GAMMA.-GLUTAMYL-S-((1S)-2-(((4R)-5,6-DIFLUORO-1,2,3,4-TETRAHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-4-QUINAZOLINYL)CARBONYL)CYCLOBUTYL)-L-CYSTEINYL-GLYCINE

SMILES

N[C@@H](CCC(=O)N[C@@H](CS[C@H]1CCC1C(=O)[C@@]2(NC(=O)NC3=CC=C(F)C(F)=C23)C(F)(F)F)C(=O)NCC(O)=O)C(O)=O

InChI

InChIKey=MBKLQTOJPQWYFI-NINWODRUSA-N
InChI=1S/C24H26F5N5O8S/c25-10-2-4-12-17(18(10)26)23(24(27,28)29,34-22(42)33-12)19(38)9-1-5-14(9)43-8-13(20(39)31-7-16(36)37)32-15(35)6-3-11(30)21(40)41/h2,4,9,11,13-14H,1,3,5-8,30H2,(H,31,39)(H,32,35)(H,36,37)(H,40,41)(H2,33,34,42)/t9?,11-,13-,14-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H26F5N5O8S
Molecular Weight 639.549
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:41:01 GMT 2023
Edited
by admin
on Sat Dec 16 16:41:01 GMT 2023
Record UNII
0H1CXX76TU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-.GAMMA.-GLUTAMYL-S-((1S)-2-(((4R)-5,6-DIFLUORO-1,2,3,4-TETRAHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-4-QUINAZOLINYL)CARBONYL)CYCLOBUTYL)-L-CYSTEINYL-GLYCINE
Systematic Name English
GLYCINE, L-.GAMMA.-GLUTAMYL-S-((1S)-2-(((4R)-5,6-DIFLUORO-1,2,3,4-TETRAHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-4-QUINAZOLINYL)CARBONYL)CYCLOBUTYL)-L-CYSTEINYL-
Systematic Name English
DPC-963 METABOLITE M3
Common Name English
Code System Code Type Description
CAS
410090-42-5
Created by admin on Sat Dec 16 16:41:01 GMT 2023 , Edited by admin on Sat Dec 16 16:41:01 GMT 2023
PRIMARY
FDA UNII
0H1CXX76TU
Created by admin on Sat Dec 16 16:41:01 GMT 2023 , Edited by admin on Sat Dec 16 16:41:01 GMT 2023
PRIMARY
PUBCHEM
154824274
Created by admin on Sat Dec 16 16:41:01 GMT 2023 , Edited by admin on Sat Dec 16 16:41:01 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE