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Substance Name: Amaninamide, deoxy-ile(3)-ala(5)-
RN: 78897-51-5
InChIKey: ZIHFETPUBFUNLK-UHFFFAOYSA-N

Molecular Formula

  • C40-H56-N10-O10-S

Molecular Weight

  • 869.0084
 
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Names and Synonyms

Name of Substance

  • Amaninamide, deoxy-ile(3)-ala(5)-

Synonyms

  • 3-Deoxy-ile-5-ala-amaninamide
  • 3-L-Isoleucine-4-(2-mercapto-L-tryptophan)-5-L-alanine-alpha-Amanitin S-deoxide
  • Amaninamide, deoxyisoleucyl(3)-alanine(5)-
  • S-Deoxo-ile(3)-ala(5)-amaninamide

Systematic Name

  • alpha-Amanitin, 3-L-isoleucine-4-(2-mercapto-L-tryptophan)-5-L-alanine-, S-deoxide

Registry Numbers

CAS Registry Number

  • 78897-51-5

System Generated Number

  • 0078897515

Structure Descriptors

InChI

1S/C40H56N10O10S/c1-6-18(3)31-37(58)42-15-30(53)44-27-17-61-39-23(22-10-8-9-11-24(22)47-39)13-25(34(55)43-20(5)33(54)48-31)45-38(59)32(19(4)7-2)49-36(57)28-12-21(51)16-50(28)40(60)26(14-29(41)52)46-35(27)56/h8-11,18-21,25-28,31-32,47,51H,6-7,12-17H2,1-5H3,(H2,41,52)(H,42,58)(H,43,55)(H,44,53)(H,45,59)(H,46,56)(H,48,54)(H,49,57)

InChIKey

ZIHFETPUBFUNLK-UHFFFAOYSA-N

Smiles

CCC(C)C1NC(=O)C(C)NC(=O)C2Cc3c(SCC(NC(=O)CNC1=O)C(=O)NC(CC(=O)N)C(=O)N4CC(O)CC4C(=O)NC(C(C)CC)C(=O)N2)[nH]c5ccccc35