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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H47N9O7
Molecular Weight 597.7075
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [ORENETIDE]

SMILES

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(O)=O

InChI

InChIKey=XHFIMNICAYXOAS-HLXURNFRSA-N
InChI=1S/C26H47N9O7/c1-15(36)20(28)22(38)33-16(7-2-3-11-27)23(39)34-13-5-9-18(34)21(37)32-17(8-4-12-31-26(29)30)24(40)35-14-6-10-19(35)25(41)42/h15-20,36H,2-14,27-28H2,1H3,(H,32,37)(H,33,38)(H,41,42)(H4,29,30,31)/t15-,16+,17+,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H47N9O7
Molecular Weight 597.7075
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:24:03 GMT 2025
Edited
by admin
on Wed Apr 02 13:24:03 GMT 2025
Record UNII
FT35WF5AKQ
Record Status alternative
Record Version
  • Download
Related Record Type Details
Primary Definition