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Substance Name: 3-Isoquinolinecarboxamide, 2-(3-((2-(acetylamino)-1-oxo-3-(8-quinolinylsulfonyl)propyl)amino)-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-, (3S-(2(2S*,3R*(R*)),3a,4ab,8ab))-
RN: 173918-19-9
InChIKey: DHFIBAHBWAOLNZ-AEAWEUCCSA-N

Molecular Formula

  • C38-H51-N5-O6-S

Molecular Weight

  • 705.9159
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 173918-19-9

System Generated Number

  • 0173918199

Structure Descriptors

InChI

1S/C38H51N5O6S/c1-25(44)40-31(24-50(48,49)34-18-10-16-27-17-11-19-39-35(27)34)36(46)41-30(20-26-12-6-5-7-13-26)33(45)23-43-22-29-15-9-8-14-28(29)21-32(43)37(47)42-38(2,3)4/h5-7,10-13,16-19,28-33,45H,8-9,14-15,20-24H2,1-4H3,(H,40,44)(H,41,46)(H,42,47)/t28-,29+,30-,31+,32-,33+/m0/s1

InChIKey

DHFIBAHBWAOLNZ-AEAWEUCCSA-N

Smiles

CC(=O)N[C@H](CS(=O)(=O)c1cccc2c1nccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C)O