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Substance Name: IRL-3630
RN: 173189-01-0
UNII: VUN0H9V085
InChIKey: DWRROFDJWVYOHG-IAPPQJPRSA-N

Note

  • IRL 3460 is an enantiomer.

Classification Code

  • Endothelin Receptor Antagonists

Molecular Formula

  • C31-H40-N4-O6-S

Molecular Weight

  • 596.745
 
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Names and Synonyms

Name of Substance

  • IRL-3630

Synonyms

  • (+)-IRL-3630
  • IRL-3461
  • IRL-3630
  • L-Valinamide, N-(3,5-dimethylbenzoyl)-4-(5-isoxazolyl)-N-methyl-D-phenylalanyl-N-(butylsulfonyl)-
  • UNII-VUN0H9V085

Registry Numbers

CAS Registry Number

  • 173189-01-0

FDA UNII

  • VUN0H9V085

System Generated Number

  • 0173189010

Structure Descriptors

InChI

1S/C31H40N4O6S/c1-7-8-15-42(39,40)35(28(20(2)3)29(32)36)31(38)26(34(6)30(37)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-33-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H2,32,36)/t26-,28+/m1/s1

InChIKey

DWRROFDJWVYOHG-IAPPQJPRSA-N

Smiles

CCCCS(=O)(=O)N([C@@H](C(C)C)C(=O)N)C(=O)[C@@H](Cc1ccc(cc1)c2ccno2)N(C)C(=O)c3cc(cc(c3)C)C