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Substance Name: Ro 31-8624
RN: 186181-50-0
InChIKey: AZQBIRIVFIRAHS-YIPNQBBMSA-N

Molecular Formula

  • C32-H40-N6-O5-S

Molecular Weight

  • 620.771
 
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Names and Synonyms

Results Name

  • Ro 31-8624

Synonym

  • Ro31-8624

Systematic Name

  • Butanediamide, N1-((1S,2R)-3-((4R)-4-(((1,1-dimethylethyl)amino)carbonyl)-3-thiazolidinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S)-

Registry Numbers

CAS Registry Number

  • 186181-50-0

System Generated Number

  • 0186181500

Structure Descriptors

InChI

1S/C32H40N6O5S/c1-32(2,3)37-31(43)26-18-44-19-38(26)17-27(39)24(15-20-9-5-4-6-10-20)35-30(42)25(16-28(33)40)36-29(41)23-14-13-21-11-7-8-12-22(21)34-23/h4-14,24-27,39H,15-19H2,1-3H3,(H2,33,40)(H,35,42)(H,36,41)(H,37,43)/t24-,25-,26-,27+/m0/s1

InChIKey

AZQBIRIVFIRAHS-YIPNQBBMSA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1CSCN1C[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)c3ccc4ccccc4n3)O