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Substance Name: KNI 174
RN: 141804-42-4
InChIKey: UFSMRNQSQSGJII-RDMYVLJUSA-N

Molecular Formula

  • C36-H45-N5-O7-S

Molecular Weight

  • 691.8455
 
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Names and Synonyms

Name of Substance

  • KNI 174

Synonyms

  • Kni-174
  • N-tert-Butyl-3-(2-hydroxy-3-N-(N(2)-(1-naphthyloxyacetyl)asparaginyl)amino-4-phenylbutanoyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Systematic Name

  • Butanediamide, N1-(3-(4-(((1,1-dimethylethyl)amino)carbonyl)-5,5-dimethyl-3-thiazolidinyl)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-2-(((1-naphthalenyloxy)acetyl)amino)-, (4R-(3(1S*(S*),2S*),4R*))-

Registry Numbers

CAS Registry Number

  • 141804-42-4

System Generated Number

  • 0141804424

Structure Descriptors

InChI

1S/C36H45N5O7S/c1-35(2,3)40-33(46)31-36(4,5)49-21-41(31)34(47)30(44)25(18-22-12-7-6-8-13-22)39-32(45)26(19-28(37)42)38-29(43)20-48-27-17-11-15-23-14-9-10-16-24(23)27/h6-17,25-26,30-31,44H,18-21H2,1-5H3,(H2,37,42)(H,38,43)(H,39,45)(H,40,46)/t25-,26-,30?,31+/m0/s1

InChIKey

UFSMRNQSQSGJII-RDMYVLJUSA-N

Smiles

CC1([C@H](N(CS1)C(=O)C([C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)COc3cccc4c3cccc4)O)C(=O)NC(C)(C)C)C