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Substance Name: Amaninamide, S-deoxy-(gamma-hydroxy-ile(3))-
RN: 124818-58-2
InChIKey: GONRAGFRMVYGHB-UHFFFAOYSA-N

Molecular Formula

  • C39-H54-N10-O11-S

Molecular Weight

  • 870.9806
 
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Names and Synonyms

Name of Substance

  • Amaninamide, S-deoxy-(gamma-hydroxy-ile(3))-

Synonyms

  • 3-((R)-4-Hydroxy-L-isoleucine)-4-(2-mercapto-L-tryptophan)-alpha-amanitin S-deoxide
  • Amaninamide, S-deoxy-(gamma-hydroxy-isoleucine(3))-
  • Deoxy-OH-ile-amaninamide
  • S-Deoxy-(gamma-hydroxy-3-ile)-amaninamide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 124818-58-2

System Generated Number

  • 0124818582

Structure Descriptors

InChI

1S/C39H54N10O11S/c1-5-17(2)31-36(58)42-13-29(53)43-26-16-61-38-22(21-8-6-7-9-23(21)46-38)11-24(33(55)41-14-30(54)47-31)44-37(59)32(18(3)19(4)50)48-35(57)27-10-20(51)15-49(27)39(60)25(12-28(40)52)45-34(26)56/h6-9,17-20,24-27,31-32,46,50-51H,5,10-16H2,1-4H3,(H2,40,52)(H,41,55)(H,42,58)(H,43,53)(H,44,59)(H,45,56)(H,47,54)(H,48,57)

InChIKey

GONRAGFRMVYGHB-UHFFFAOYSA-N

Smiles

CCC(C)C1C(=O)NCC(=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)C(C)O