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Substance Name: Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-
RN: 74522-81-9
InChIKey: FLAUHIJUGQGDFE-LPKCWGDRSA-N

Molecular Formula

  • C31-H53-N-O3-S

Molecular Weight

  • 519.83
 
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Names and Synonyms

  • Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-

Registry Numbers

CAS Registry Number

  • 74522-81-9

System Generated Number

  • 0074522819

Structure Descriptors

InChI

1S/C31H53NO3S/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(32-36-29(35)14-13-28(33)34)15-17-30(22,4)27(24)16-18-31(25,26)5/h20-27,32H,6-19H2,1-5H3,(H,33,34)/t21-,22+,23-,24?,25-,26?,27?,30+,31-/m1/s1

InChIKey

FLAUHIJUGQGDFE-LPKCWGDRSA-N

Smiles

C(CCC(=O)SN[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CC[C@@H]2C1)[C@@H](CCCC(C)C)C)C)C)(=O)O