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Substance Name: Ro 31-8875
RN: 136522-18-4
InChIKey: KWJAFFUEDWUZAR-WOVUZPOESA-N

Molecular Formula

  • C36-H51-N5-O6

Molecular Weight

  • 649.8279
 
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Names and Synonyms

Results Name

  • Ro 31-8875

Synonyms

  • Ro31-8875
  • Z-Asn-Phe-psi (CH(OH)CH2N)DIQ-NH-tBu

Systematic Name

  • (2S)-N-((1S,2R)-3-((1S,4S,6S)-3-aza-4-(N-(tert-butyl)carbamoyl)bicyclo(4.4.0)dec-3-yl)-2-hydroxy-1-benzylpropyl)-3-carbamoyl-2-((phenylmethoxy)carbonylamino)propanamide

Registry Numbers

CAS Registry Number

  • 136522-18-4

System Generated Number

  • 0136522184

Structure Descriptors

InChI

1S/C36H51N5O6/c1-36(2,3)40-34(45)30-19-26-16-10-11-17-27(26)21-41(30)22-31(42)28(18-24-12-6-4-7-13-24)38-33(44)29(20-32(37)43)39-35(46)47-23-25-14-8-5-9-15-25/h4-9,12-15,26-31,42H,10-11,16-23H2,1-3H3,(H2,37,43)(H,38,44)(H,39,46)(H,40,45)/t26-,27+,28-,29-,30-,31+/m0/s1

InChIKey

KWJAFFUEDWUZAR-WOVUZPOESA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)OCc4ccccc4)O