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Substance Name: CTP-518
RN: 1092540-56-1
UNII: F9UZ89CQYY
InChIKey: AXRYRYVKAWYZBR-ILCNTUBFSA-N

Molecular Formula

  • C38-H52-N6-O7

Molecular Weight

  • 719.9479
 
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Names and Synonyms

Name of Substance

  • CTP-518

Synonyms

  • 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)-
  • CTP-518
  • UNII-F9UZ89CQYY

Registry Numbers

CAS Registry Number

  • 1092540-56-1

FDA UNII

  • F9UZ89CQYY

System Generated Number

  • 1092540561

Structure Descriptors

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

InChIKey

AXRYRYVKAWYZBR-ILCNTUBFSA-N

Smiles

[2H]C([2H])([2H])OC(=O)N[C@H](C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])Cc2ccc(cc2)c3ccccn3)C(C)(C)C