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Substance Name: TMC-310911
RN: 1000287-05-7
UNII: 0151W500HP
InChIKey: JQUNFHFWXCXPRK-AMMMHQJVSA-N

Molecular Formula

  • C38-H53-N5-O7-S2

Molecular Weight

  • 755.9967
 
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Names and Synonyms

Name of Substance

  • TMC-310911

Synonyms

  • ((3aS,4R,6aR)-2,3,3a,4,5,6a-Hexahydrofuro(2,3-b)furan-4-yl) N-((1S,2R)-1-benzyl-3-((2-((1-cyclopentyl-4-piperidyl)amino)-1,3-benzothiazol-6-yl)sulfonyl-isobutyl-amino)-2-hydroxy-propyl)carbamate
  • ASC-09
  • Carbamic acid, N-((1S,2R)-3-(((2-((1-cyclopentyl-4-piperidinyl)amino)-6-benzothiazolyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ester
  • TMC-310911
  • TMC310911
  • UNII-0151W500HP

Registry Numbers

CAS Registry Number

  • 1000287-05-7

FDA UNII

  • 0151W500HP

System Generated Number

  • 1000287057

Structure Descriptors

InChI

1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1

InChIKey

JQUNFHFWXCXPRK-AMMMHQJVSA-N

Smiles

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc5nc(NC6CCN(CC6)C7CCCC7)sc5c4