Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: U 77436
RN: 128657-36-3
InChIKey: MLWGQBSRGOGMDI-JJNNLWIXSA-N

Molecular Formula

  • C50-H76-N10-O11

Molecular Weight

  • 993.209
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • U 77436

Synonyms

  • (1R-(1R*,2R*,4R*(1R*,2R*)))-1-(((2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)carbonyl)-L-prolyl-L-phenylalanyl-N-(2-hydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-Nalpha-methyl-L-histidinamide N-oxide
  • U-77436

Systematic Name

  • L-Histidinamide, 1-(((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)carbonyl)-L-prolyl-L-phenylalanyl-N-(2-hydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-Nalpha-methyl-, N-oxide, (1R-(1R*,2R*,4R*(1R*,2R*)))-

Registry Numbers

CAS Registry Number

  • 128657-36-3

System Generated Number

  • 0128657363

Structure Descriptors

InChI

1S/C50H76N10O11/c1-8-33(6)43(47(68)52-26-36-17-12-13-20-60(36)71)56-44(65)37(32(4)5)24-42(64)38(21-31(2)3)54-46(67)41(23-35-25-51-30-53-35)58(7)48(69)39(22-34-15-10-9-11-16-34)55-45(66)40-18-14-19-59(40)49(70)57-50(27-61,28-62)29-63/h9-13,15-17,20,25,30-33,37-43,61-64H,8,14,18-19,21-24,26-29H2,1-7H3,(H,51,53)(H,52,68)(H,54,67)(H,55,66)(H,56,65)(H,57,70)/t33-,37-,38-,39-,40-,41-,42-,43-/m0/s1

InChIKey

MLWGQBSRGOGMDI-JJNNLWIXSA-N

Smiles

c1(ccccc1)C[C@H](NC([C@@H]1CCCN1C(NC(CO)(CO)CO)=O)=O)C(N(C)[C@@H](Cc1cnc[nH]1)C(N[C@@H](CC(C)C)[C@H](C[C@H](C(N[C@@H]([C@H](CC)C)C(NCc1ccccn1=O)=O)=O)C(C)C)O)=O)=O