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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)-8-QUINAZOLINYL)-L-CYSTEINYL-GLYCINE

SMILES

N[C@@H](CCC(=O)N[C@@H](CSC1=C2NC(=O)N[C@@](C#CC3CC3)(C2=C(F)C(O)=C1)C(F)(F)F)C(=O)NCC(O)=O)C(O)=O

InChI

InChIKey=NLCIHSCJAAJXOR-RSPIHXBNSA-N
InChI=1S/C24H25F4N5O8S/c25-18-13(34)7-14(19-17(18)23(24(26,27)28,33-22(41)32-19)6-5-10-1-2-10)42-9-12(20(38)30-8-16(36)37)31-15(35)4-3-11(29)21(39)40/h7,10-12,34H,1-4,8-9,29H2,(H,30,38)(H,31,35)(H,36,37)(H,39,40)(H2,32,33,41)/t11-,12-,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 16:00:39 GMT 2023
Edited
by admin
on Sat Dec 16 16:00:39 GMT 2023
Record UNII
S14H4U3KED
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)-8-QUINAZOLINYL)-L-CYSTEINYL-GLYCINE
Systematic Name English
DPC-963 METABOLITE M6
Common Name English
GLYCINE, L-.GAMMA.-GLUTAMYL-S-((4S)-4-(CYCLOPROPYLETHYNYL)-5-FLUORO-1,2,3,4-TETRAHYDRO-6-HYDROXY-2-OXO-4-(TRIFLUOROMETHYL)-8-QUINAZOLINYL)-L-CYSTEINYL-
Systematic Name English
Code System Code Type Description
FDA UNII
S14H4U3KED
Created by admin on Sat Dec 16 16:00:40 GMT 2023 , Edited by admin on Sat Dec 16 16:00:40 GMT 2023
PRIMARY
CAS
410090-44-7
Created by admin on Sat Dec 16 16:00:40 GMT 2023 , Edited by admin on Sat Dec 16 16:00:40 GMT 2023
PRIMARY
PUBCHEM
154731608
Created by admin on Sat Dec 16 16:00:40 GMT 2023 , Edited by admin on Sat Dec 16 16:00:40 GMT 2023
PRIMARY
Related Record Type Details
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