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Substance Name: 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester
RN: 111070-40-7
InChIKey: QQCPHRXFCBQYCA-WMXJXTQLSA-N

Molecular Formula

  • C33-H38-N6-O7-S.Br-H

Molecular Weight

  • 759.6751
 
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Names and Synonyms

Name of Substance

  • 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester

Synonyms

  • Papaie
  • Z-Phe-arg-psi(CS)-aie

Systematic Name

  • L-Argininamide, N-((phenylmethoxy)carbonyl)-L-phenylalanyl-N-(3,5-bis(methoxycarbonyl)phenyl)thio-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 111070-40-7

System Generated Number

  • 0111070407

Molecular Formulas

Molecular Formula

  • C33-H38-N6-O7-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C33-H38-N6-O7-S
  • COMPONENT

Structure Descriptors

InChI

1S/C33H38N6O8S.BrH/c1-45-30(42)23-17-24(31(43)46-2)19-25(18-23)48-39-26(14-9-15-36-32(34)35)28(40)38-29(41)27(16-21-10-5-3-6-11-21)37-33(44)47-20-22-12-7-4-8-13-22;/h3-8,10-13,17-19,26-27,39H,9,14-16,20H2,1-2H3,(H,37,44)(H4,34,35,36)(H,38,40,41);1H/t26-,27-;/m0./s1

InChIKey

QQCPHRXFCBQYCA-WMXJXTQLSA-N

Smiles

COC(=O)c1cc(cc(c1)SN[C@@H](CCCNC(=N)N)C(=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)C(=O)OC.Br