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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H30BrN7O5S
Molecular Weight 620.519
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MPC-0767

SMILES

C[C@H](N)C(=O)O[C@@H](C)C(=O)N1CCC(CCN2C(SC3=C(Br)C=C4OCOC4=C3)=NC5=C(N)N=CN=C25)CC1

InChI

InChIKey=SWZWQKKFNJGOQM-KBPBESRZSA-N
InChI=1S/C25H30BrN7O5S/c1-13(27)24(35)38-14(2)23(34)32-6-3-15(4-7-32)5-8-33-22-20(21(28)29-11-30-22)31-25(33)39-19-10-18-17(9-16(19)26)36-12-37-18/h9-11,13-15H,3-8,12,27H2,1-2H3,(H2,28,29,30)/t13-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H30BrN7O5S
Molecular Weight 620.519
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 15:03:59 UTC 2023
Edited
by admin
on Sat Dec 16 15:03:59 UTC 2023
Record UNII
0K6G1O9YKM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MPC-0767
Code English
L-ALANINE, (1S)-2-(4-(2-(6-AMINO-8-((6-BROMO-1,3-BENZODIOXOL-5-YL)THIO)-9H-PURIN-9-YL)ETHYL)-1-PIPERIDINYL)-1-METHYL-2-OXOETHYL ESTER
Systematic Name English
(S)-1-(4-(2-(6-AMINO-8-((6-BROMOBENZO(D)(1,3)DIOXOL-5-YL)THIO)- 9H-PURIN-9-YL)ETHYL)PIPERIDIN-1-YL)-1-OXOPROPAN-2-YL L-ALANINATE
Systematic Name English
Code System Code Type Description
CAS
1310540-31-8
Created by admin on Sat Dec 16 15:03:59 UTC 2023 , Edited by admin on Sat Dec 16 15:03:59 UTC 2023
PRIMARY
FDA UNII
0K6G1O9YKM
Created by admin on Sat Dec 16 15:03:59 UTC 2023 , Edited by admin on Sat Dec 16 15:03:59 UTC 2023
PRIMARY
PUBCHEM
70674083
Created by admin on Sat Dec 16 15:03:59 UTC 2023 , Edited by admin on Sat Dec 16 15:03:59 UTC 2023
PRIMARY
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