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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H52N6O7
Molecular Weight 719.9494
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CTP-518

SMILES

C([H])([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(C(=N[C@@]([H])(Cc1ccccc1)[C@]([H])(CN(Cc2ccc(cc2)-c3ccccn3)N=C([C@]([H])(C(C)(C)C)N=C(O)OC([H])([H])[H])O)O)O)N=C(O)OC([H])([H])[H]

InChI

InChIKey=AXRYRYVKAWYZBR-ILCNTUBFSA-N
InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1/i1D3,2D3,3D3,7D3,8D3

HIDE SMILES / InChI

Molecular Formula C38H52N6O7
Molecular Weight 719.9494
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 Jun 26 16:00:24 UTC 2021
Edited
by admin
on Sat Jun 26 16:00:24 UTC 2021
Record UNII
F9UZ89CQYY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CTP-518
Code English
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID, 3-(1,1-DIMETHYLETHYL)-12-(1,1-DI(METHYL-D3)ETHYL-2,2,2-D3)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-((4-(2-PYRIDINYL)PHENYL)METHYL)-, 1,14-DI(METHYL-D3) ESTER, (3S,8S,9S,12S)-
Systematic Name English
Code System Code Type Description
CAS
1313183-89-9
Created by admin on Sat Jun 26 16:00:24 UTC 2021 , Edited by admin on Sat Jun 26 16:00:24 UTC 2021
NO STRUCTURE GIVEN
CAS
1092540-56-1
Created by admin on Sat Jun 26 16:00:24 UTC 2021 , Edited by admin on Sat Jun 26 16:00:24 UTC 2021
PRIMARY
FDA UNII
F9UZ89CQYY
Created by admin on Sat Jun 26 16:00:24 UTC 2021 , Edited by admin on Sat Jun 26 16:00:24 UTC 2021
PRIMARY
PUBCHEM
25144997
Created by admin on Sat Jun 26 16:00:24 UTC 2021 , Edited by admin on Sat Jun 26 16:00:24 UTC 2021
PRIMARY
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TARGET ORGANISM->INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY