Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: L-Leucinamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N-(6-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)-6-oxohexyl)-, monohydrochloride
RN: 145594-25-8
InChIKey: RERHSZDNBNQPNR-RKCLFCSSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C49-H69-N7-O11.Cl-H

Molecular Weight

  • 968.583
 
* 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

Synonym

  • N-(Tyrosyl-D-alanylglycylphenylalanylylleucyl-6-aminohexanoyl)-benzoaza-15-crown-5 HCl

Systematic Name

  • L-Leucinamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N-(6-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)-6-oxohexyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 145594-25-8

System Generated Number

  • 0145594258

Molecular Formulas

Molecular Formula

  • C49-H69-N7-O11.Cl-H

Molecular Formula Fragments

  • C49-H69-N7-O11
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C49H69N7O11.ClH/c1-34(2)30-40(51-21-11-5-8-16-45(59)56-22-24-64-26-28-66-42-14-9-10-15-43(42)67-29-27-65-25-23-56)48(62)55-49(63)41(32-36-12-6-4-7-13-36)54-44(58)33-52-46(60)35(3)53-47(61)39(50)31-37-17-19-38(57)20-18-37;/h4,6-7,9-10,12-15,17-20,34-35,39-41,51,57H,5,8,11,16,21-33,50H2,1-3H3,(H,52,60)(H,53,61)(H,54,58)(H,55,62,63);1H/t35-,39+,40+,41+;/m1./s1

InChIKey

RERHSZDNBNQPNR-RKCLFCSSSA-N

Smiles

C[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)[C@H](CC(C)C)NCCCCCC(=O)N2CCOCCOc3ccccc3OCCOCC2)NC(=O)[C@H](Cc4ccc(cc4)O)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 446, 1992.