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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H54N4O6S
Molecular Weight 646.881
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-108671 FREE BASE

SMILES

CNC1CCN(CC1)C(=O)C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CSC)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C(=O)OC(C)C

InChI

InChIKey=QGEPSKOURWVCMJ-BTURHGITSA-N
InChI=1S/C34H54N4O6S/c1-23(2)44-34(43)31(40)28(20-25-13-9-6-10-14-25)36-33(42)29(22-45-4)37-32(41)26(19-24-11-7-5-8-12-24)21-30(39)38-17-15-27(35-3)16-18-38/h5,7-8,11-12,23,25-29,31,35,40H,6,9-10,13-22H2,1-4H3,(H,36,42)(H,37,41)/t26-,28+,29+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H54N4O6S
Molecular Weight 646.881
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 Sat Dec 16 13:33:39 GMT 2023
Edited
by admin
on Sat Dec 16 13:33:39 GMT 2023
Record UNII
49R6GO0FWP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-108671 FREE BASE
Code English
CYCLOHEXANEBUTANOIC ACID, .ALPHA.-HYDROXY-.BETA.-((2-((4-(4-(METHYLAMINO)-1-PIPERIDINYL)-1,4-DIOXO-2-(PHENYLMETHYL)BUTYL)AMINO)-3-(METHYLTHIO)-1-OXOPROPYL)AMINO)-, 1-METHYLETHYL ESTER, (.ALPHA.R-(.ALPHA.R*,.BETA.S*(R*(R*))))-
Systematic Name English
Code System Code Type Description
CAS
172341-15-0
Created by admin on Sat Dec 16 13:33:40 GMT 2023 , Edited by admin on Sat Dec 16 13:33:40 GMT 2023
PRIMARY
FDA UNII
49R6GO0FWP
Created by admin on Sat Dec 16 13:33:40 GMT 2023 , Edited by admin on Sat Dec 16 13:33:40 GMT 2023
PRIMARY
PUBCHEM
44342184
Created by admin on Sat Dec 16 13:33:40 GMT 2023 , Edited by admin on Sat Dec 16 13:33:40 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY