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Substance Name: BIO-1211
RN: 187735-94-0
UNII: 61G4E2353I
InChIKey: NVVGCQABIHSJSQ-KFZSMJGVSA-N

Note

  • Integrin alpha4beta1 inhibitor.

Molecular Formula

  • C36-H48-N6-O9

Molecular Weight

  • 708.8082
 
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Names and Synonyms

Name of Substance

  • BIO-1211

Synonyms

  • BIO-1211
  • L-Proline, N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-
  • L-Proline, N-(2-(4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-
  • UNII-61G4E2353I

Registry Numbers

CAS Registry Number

  • 187735-94-0

FDA UNII

  • 61G4E2353I

System Generated Number

  • 0187735940

Structure Descriptors

InChI

1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1

InChIKey

NVVGCQABIHSJSQ-KFZSMJGVSA-N

Smiles

Cc1ccccc1NC(=O)Nc2ccc(cc2)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)O