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Substance Name: Amaninamide, deoxy-ile(3)-ala(7)-
RN: 78887-12-4
InChIKey: IGBRDXAPBSSWBN-UHFFFAOYSA-N

Note

  • Glycine replaced by alanine in position 7.

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(7)-

Synonyms

  • 3-Deoxy-ile-7-ala-amaninamide
  • 3-L-Isoleucine-4-(2-mercapto-L-tryptophan)-7-L-alanine-alpha-Amanitin S-deoxide
  • Amaninamide, deoxy-isoleucyl(3)-alanine(7)-

Systematic Name

  • alpha-Amanitin, 3-L-isoleucine-4-(2-mercapto-L-tryptophan)-7-L-alanine-, S-deoxide

Registry Numbers

CAS Registry Number

  • 78887-12-4

System Generated Number

  • 0078887124

Structure Descriptors

InChI

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

InChIKey

IGBRDXAPBSSWBN-UHFFFAOYSA-N

Smiles

CCC(C)C1C(=O)NC(C(=O)NC2CSc3c(c4ccccc4[nH]3)CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C5CC(CN5C(=O)C(NC2=O)CC(=O)N)O)C(C)CC)C