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Substance Name: L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-
RN: 145594-21-4
InChIKey: HYZGEOLQTIALCV-LVBQHZOISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H58-N6-O10.Cl-H

Molecular Weight

  • 855.4241
 
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Names and Synonyms

Synonym

  • N-(Tyrosyl-D-alanylglycylphenylalanylleucyl)benzoaza-15-crown-5 hydrochloride

Systematic Name

  • L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-(3-methyl-1-((2,3,5,6,8,9,11,12-ocathydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)carbonyl)butyl)-, monohydrochloride, (S)-

Registry Numbers

CAS Registry Number

  • 145594-21-4

System Generated Number

  • 0145594214

Molecular Formulas

Molecular Formula

  • C43-H58-N6-O10.Cl-H

Molecular Formula Fragments

  • C43-H58-N6-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C43H58N6O10.ClH/c1-29(2)25-36(43(55)49-17-19-56-21-23-58-37-11-7-8-12-38(37)59-24-22-57-20-18-49)47-35(27-31-9-5-4-6-10-31)42(54)48-39(51)28-45-40(52)30(3)46-41(53)34(44)26-32-13-15-33(50)16-14-32;/h4-16,29-30,34-36,47,50H,17-28,44H2,1-3H3,(H,45,52)(H,46,53)(H,48,51,54);1H/t30-,34+,35+,36+;/m1./s1

InChIKey

HYZGEOLQTIALCV-LVBQHZOISA-N

Smiles

C[C@H](C(=O)NCC(=O)NC(=O)[C@H](Cc1ccccc1)N[C@@H](CC(C)C)C(=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.