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Substance Name: SR 43845
RN: 114037-60-4
InChIKey: NZGWKVVFXREROW-UHFFFAOYSA-N

Molecular Formula

  • C44-H64-N8-O8

Molecular Weight

  • 833.038
 
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Names and Synonyms

Name of Substance

  • SR 43845

Synonym

  • SR-43845

Systematic Name

  • L-threo-Pentonamide, 5-cyclohexyl-2,4,5-trideoxy-N-(1-(((2-hydroxy-1-(hydroxymethyl)-1-methylethyl)amino)carbonyl)-2-methylbutyl)-4-((N-(N-(1-oxo-3-(3-pyridinyl)propyl)-L-phenylalanyl)-L-histidyl)amino)-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 114037-60-4

System Generated Number

  • 0114037604

Structure Descriptors

InChI

1S/C44H64N8O8/c1-4-29(2)40(43(60)52-44(3,26-53)27-54)51-39(57)23-37(55)34(20-30-12-7-5-8-13-30)49-42(59)36(22-33-25-46-28-47-33)50-41(58)35(21-31-14-9-6-10-15-31)48-38(56)18-17-32-16-11-19-45-24-32/h6,9-11,14-16,19,24-25,28-30,34-37,40,53-55H,4-5,7-8,12-13,17-18,20-23,26-27H2,1-3H3,(H,46,47)(H,48,56)(H,49,59)(H,50,58)(H,51,57)(H,52,60)

InChIKey

NZGWKVVFXREROW-UHFFFAOYSA-N

Smiles

C1(C[C@@H](NC([C@@H](Cc2cnc[nH]2)NC([C@@H](NC(CCc2cnccc2)=O)Cc2ccccc2)=O)=O)[C@@H](CC(N[C@@H]([C@@H](CC)C)C(=O)NC(CO)(C)CO)=O)O)CCCCC1