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Substance Name: Antamanide, phe(4)-val(6)-
RN: 33426-38-9
InChIKey: VLSAGFHWCFSREE-AHUJSGMISA-N

Molecular Formula

  • C66-H82-N10-O10

Molecular Weight

  • 1175.4338
 
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Names and Synonyms

Name of Substance

  • Antamanide, phe(4)-val(6)-

Synonyms

  • 4-Phenylalanyl-6-valine-antamanide
  • Antamanide, 2-phenylalanyl-6-valine-
  • Phe(4)-val(6)-antamanide

Systematic Name

  • Antamanide, 1-de-L-alanine-3a-endo-L-valine-

Registry Numbers

CAS Registry Number

  • 33426-38-9

System Generated Number

  • 0033426389

Structure Descriptors

InChI

1S/C66H82N10O10/c1-41(2)55-65(85)75-35-19-31-53(75)63(83)73-33-17-29-51(73)61(81)70-48(38-44-23-11-6-12-24-44)58(78)68-50(40-46-27-15-8-16-28-46)60(80)72-56(42(3)4)66(86)76-36-20-32-54(76)64(84)74-34-18-30-52(74)62(82)69-47(37-43-21-9-5-10-22-43)57(77)67-49(59(79)71-55)39-45-25-13-7-14-26-45/h5-16,21-28,41-42,47-56H,17-20,29-40H2,1-4H3,(H,67,77)(H,68,78)(H,69,82)(H,70,81)(H,71,79)(H,72,80)/t47-,48-,49-,50-,51-,52-,53?,54?,55-,56-/m0/s1

InChIKey

VLSAGFHWCFSREE-AHUJSGMISA-N

Smiles

CC(C)[C@H]1C(=O)N2CCCC2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCCC4C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc6ccccc6)Cc7ccccc7)C(C)C)Cc8ccccc8)Cc9ccccc9