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Substance Name: A-4250
RN: 501692-44-0
UNII: 2W150K0UUC
InChIKey: XULSCZPZVQIMFM-IPZQJPLYSA-N

Molecular Formula

  • C37-H48-N4-O8-S2

Molecular Weight

  • 740.9382
 
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Names and Synonyms

Name of Substance

  • A-4250

Synonyms

  • (2S)-2-(((2R)-2-((((3,3-Dibutyl-7-(methylthio)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro- 1,2,5-benzothiadiazepin-8-yl)oxy)acetyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)butanoic acid
  • A-4250
  • A4250
  • Butanoic acid, 2-(((2R)-((((3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,2,5-benzothiadiazepin-8-yl)oxy)acetyl)amino)(4-hydroxyphenyl)acetyl)amino)-, (2S)-
  • Butanoic acid, 2-(((2R)-2-((2-((3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,2,5-benzothiadiazepin-8-yl)oxy)acetyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-, (2S)-
  • UNII-2W150K0UUC

Registry Numbers

CAS Registry Number

  • 501692-44-0

FDA UNII

  • 2W150K0UUC

System Generated Number

  • 0501692440

Structure Descriptors

InChI

1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1

InChIKey

XULSCZPZVQIMFM-IPZQJPLYSA-N

Smiles

CCCCC1(CCCC)CN(c2ccccc2)c3cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c4ccc(O)cc4)cc3S(=O)(=O)N1