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Substance Name: NSC 129883
RN: 13342-47-7
InChIKey: IBSSLJCBOWNJDH-UHFFFAOYSA-N

Molecular Formula

  • C96-H96-N8-O11-S3

Molecular Weight

  • 1634.0574
 
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Names and Synonyms

Results Name

  • NSC 129883

Synonym

  • NSC129883

Systematic Name

  • tert-Butyl 8-((benzhydrylthio)methyl)-14,23-dibenzyl-3,6,9,12,15,18,21,24-octaoxo-1-phenyl-5,20-bis((tritylthio)methyl)-2-oxa-4,7,10,13,16,19,22,25-octaazaheptacosan-27-oate

Registry Numbers

CAS Registry Number

  • 13342-47-7

System Generated Number

  • 0013342477

Structure Descriptors

InChI

1S/C96H96N8O11S3/c1-94(2,3)115-86(107)63-99-89(109)80(60-69-39-17-5-18-40-69)102-91(111)82(66-117-95(73-47-25-9-26-48-73,74-49-27-10-28-50-74)75-51-29-11-30-52-75)101-85(106)62-97-88(108)79(59-68-37-15-4-16-38-68)100-84(105)61-98-90(110)81(65-116-87(71-43-21-7-22-44-71)72-45-23-8-24-46-72)103-92(112)83(104-93(113)114-64-70-41-19-6-20-42-70)67-118-96(76-53-31-12-32-54-76,77-55-33-13-34-56-77)78-57-35-14-36-58-78/h4-58,79-83,87H,59-67H2,1-3H3,(H,97,108)(H,98,110)(H,99,109)(H,100,105)(H,101,106)(H,102,111)(H,103,112)(H,104,113)

InChIKey

IBSSLJCBOWNJDH-UHFFFAOYSA-N

Smiles

CC(C)(C)OC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(CSC(c2ccccc2)(c3ccccc3)c4ccccc4)NC(=O)CNC(=O)C(Cc5ccccc5)NC(=O)CNC(=O)C(CSC(c6ccccc6)c7ccccc7)NC(=O)C(CSC(c8ccccc8)(c9ccccc9)c1ccccc1)NC(=O)OCc1ccccc1