U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C52H89N9O18
Molecular Weight 1128.3126
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Canvuparatide modified histidine

SMILES

N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=HQNWDGAVWXWIPC-IWWWZYECSA-N
InChI=1S/C52H89N9O18/c53-39(33-38-34-54-37-58-38)49(69)61-40(50(70)71)17-15-16-24-55-43(62)22-21-42(52(74)75)60-47(66)36-79-32-30-77-28-26-57-46(65)35-78-31-29-76-27-25-56-44(63)23-20-41(51(72)73)59-45(64)18-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19-48(67)68/h34,37,39-42H,1-33,35-36,53H2,(H,54,58)(H,55,62)(H,56,63)(H,57,65)(H,59,64)(H,60,66)(H,61,69)(H,67,68)(H,70,71)(H,72,73)(H,74,75)/t39-,40-,41-,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula C52H89N9O18
Molecular Weight 1128.3126
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:10:34 GMT 2025
Edited
by admin
on Wed Apr 02 19:10:34 GMT 2025
Record UNII
TN8U996MVN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Canvuparatide modified histidine
Preferred Name English
Code System Code Type Description
FDA UNII
TN8U996MVN
Created by admin on Wed Apr 02 19:10:34 GMT 2025 , Edited by admin on Wed Apr 02 19:10:34 GMT 2025
PRIMARY