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Substance Name: Ro 43-5054
RN: 138107-58-1
InChIKey: XPXOBWWMCFKOKQ-ROUUACIJSA-N

Note

  • Low molecular weight, noncyclic, peptidomimetic inhibitor.

Molecular Formula

  • C24-H27-N5-O7

Molecular Weight

  • 497.505
 
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Names and Synonyms

Name of Substance

  • Ro 43-5054

Synonyms

  • N-(N-(N-(p-Amidinobenzoyl)-beta-alanyl)-L-alpha-aspartyl)-3-phenyl-L-alanine
  • p-Amidinobenzoyl-beta-alanyl-aspartyl-phenylalanine
  • Ro 435054

Systematic Name

  • L-Phenylalanine, N-(N-(N-(4-(aminoiminomethyl)benzoyl)-beta-alanyl)-L-alpha-aspartyl)-

Registry Numbers

CAS Registry Number

  • 138107-58-1

System Generated Number

  • 0138107581

Structure Descriptors

InChI

1S/C24H27N5O7/c25-21(26)15-6-8-16(9-7-15)22(33)27-11-10-19(30)28-17(13-20(31)32)23(34)29-18(24(35)36)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H3,25,26)(H,27,33)(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t17-,18-/m0/s1

InChIKey

XPXOBWWMCFKOKQ-ROUUACIJSA-N

Smiles

C([C@@H](NC([C@@H](NC(CCNC(c1ccc(cc1)C(=N)N)=O)=O)CC(=O)O)=O)Cc1ccccc1)(=O)O