Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Isoquinolinecarboxamide, 2-(3-((2-(acetylamino)-1-oxo-3-((phenylmethyl)thio)propyl)amino)-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-, (3S-(2(2S*,3R*(R*)),3a,4ab,8ab))-
RN: 173918-20-2
InChIKey: FSZBMUOHARLJDN-AEAWEUCCSA-N

Molecular Formula

  • C36-H52-N4-O4-S

Molecular Weight

  • 636.8968
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 3-Isoquinolinecarboxamide, 2-(3-((2-(acetylamino)-1-oxo-3-((phenylmethyl)thio)propyl)amino)-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-, (3S-(2(2S*,3R*(R*)),3a,4ab,8ab))-

Registry Numbers

CAS Registry Number

  • 173918-20-2

System Generated Number

  • 0173918202

Structure Descriptors

InChI

1S/C36H52N4O4S/c1-25(41)37-31(24-45-23-27-15-9-6-10-16-27)34(43)38-30(19-26-13-7-5-8-14-26)33(42)22-40-21-29-18-12-11-17-28(29)20-32(40)35(44)39-36(2,3)4/h5-10,13-16,28-33,42H,11-12,17-24H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)/t28-,29+,30-,31+,32-,33+/m0/s1

InChIKey

FSZBMUOHARLJDN-AEAWEUCCSA-N

Smiles

CC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O