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Details

Stereochemistry ACHIRAL
Molecular Formula C26H33NO4S
Molecular Weight 455.61
Optical Activity NONE
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VCH-916 Free acid

SMILES

CO[C@H]1CC[C@@H](CC1)N(C(=O)[C@H]2CC[C@H](C)CC2)C3=C(SC(=C3)C4=CC=CC=C4)C(O)=O

InChI

InChIKey=HQBQRPMEFPOVLG-YSXIEMCBSA-N
InChI=1S/C26H33NO4S/c1-17-8-10-19(11-9-17)25(28)27(20-12-14-21(31-2)15-13-20)22-16-23(32-24(22)26(29)30)18-6-4-3-5-7-18/h3-7,16-17,19-21H,8-15H2,1-2H3,(H,29,30)/t17-,19-,20-,21-

HIDE SMILES / InChI

Molecular Formula C26H33NO4S
Molecular Weight 455.61
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:57:51 UTC 2023
Edited
by admin
on Sat Dec 16 19:57:51 UTC 2023
Record UNII
3E4M52KG2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VCH-916 Free acid
Code English
2-Thiophenecarboxylic acid, 3-[(trans-4-methoxycyclohexyl)[(4-methylcyclohexyl)carbonyl]amino]-5-phenyl-
Systematic Name English
Code System Code Type Description
CAS
914778-92-0
Created by admin on Sat Dec 16 19:57:51 UTC 2023 , Edited by admin on Sat Dec 16 19:57:51 UTC 2023
PRIMARY
FDA UNII
3E4M52KG2G
Created by admin on Sat Dec 16 19:57:51 UTC 2023 , Edited by admin on Sat Dec 16 19:57:51 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
TARGET ORGANISM->INHIBITOR
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ACTIVE MOIETY