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Substance Name: alpha-Amanitin, 4-(6-hydroxy-7-iodo-2-mercapto-L-tryptophan)-
RN: 66185-10-2
InChIKey: ULRFHYACXBHNNC-UHFFFAOYSA-N

Molecular Weight

  • 1044.87
 
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Names and Synonyms

  • alpha-Amanitin, 4-(6-hydroxy-7-iodo-2-mercapto-L-tryptophan)-

Registry Numbers

CAS Registry Number

  • 66185-10-2

System Generated Number

  • 0066185102

Structure Descriptors

InChI

1S/C39H53IN10O14S/c1-4-15(2)30-36(61)43-10-27(56)44-22-14-65(64)38-19(18-5-6-24(53)29(40)32(18)49-38)8-20(33(58)42-11-28(57)47-30)45-37(62)31(16(3)25(54)13-51)48-35(60)23-7-17(52)12-50(23)39(63)21(9-26(41)55)46-34(22)59/h5-6,15-17,20-23,25,30-31,49,51-54H,4,7-14H2,1-3H3,(H2,41,55)(H,42,58)(H,43,61)(H,44,56)(H,45,62)(H,46,59)(H,47,57)(H,48,60)

InChIKey

ULRFHYACXBHNNC-UHFFFAOYSA-N

Smiles

C1N2[C@@H](C(N[C@@H]([C@@H]([C@@H](CO)O)C)C(=O)N[C@@H]3C(NCC(N[C@@H](C(=O)NCC(N[C@@H](C[S@@](c4c(C3)c3c([nH]4)c(c(cc3)O)I)=O)C(N[C@@H](C2=O)CC(N)=O)=O)=O)[C@@H](CC)C)=O)=O)=O)C[C@@H]1O