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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H56N10O10
Molecular Weight 836.9336
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FAPI-02

SMILES

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCCOC3=CC=C4N=CC=C(C(=O)NCC(=O)N5CCC[C@H]5C#N)C4=C3)CC2)CCN(CC(O)=O)CC1

InChI

InChIKey=CRWOFMLXEOYIEP-PMERELPUSA-N
InChI=1S/C40H56N10O10/c41-24-30-3-1-9-50(30)35(51)25-43-40(59)32-6-7-42-34-5-4-31(23-33(32)34)60-22-2-8-44-18-20-49(21-19-44)36(52)26-45-10-12-46(27-37(53)54)14-16-48(29-39(57)58)17-15-47(13-11-45)28-38(55)56/h4-7,23,30H,1-3,8-22,25-29H2,(H,43,59)(H,53,54)(H,55,56)(H,57,58)/t30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H56N10O10
Molecular Weight 836.9336
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:35:41 UTC 2023
Edited
by admin
on Sat Dec 16 17:35:41 UTC 2023
Record UNII
54MD7EU3MC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FAPI-02
Common Name English
FAPI-2
Common Name English
Code System Code Type Description
CAS
2370952-98-8
Created by admin on Sat Dec 16 17:35:41 UTC 2023 , Edited by admin on Sat Dec 16 17:35:41 UTC 2023
PRIMARY
PUBCHEM
138454802
Created by admin on Sat Dec 16 17:35:41 UTC 2023 , Edited by admin on Sat Dec 16 17:35:41 UTC 2023
PRIMARY
FDA UNII
54MD7EU3MC
Created by admin on Sat Dec 16 17:35:41 UTC 2023 , Edited by admin on Sat Dec 16 17:35:41 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
LABELED -> NON-LABELED
TARGET -> INHIBITOR