Amanine

Molecular Formula: C₃₉H₅₃N₉O₁₄S

InChI: InChI=1/C39H53N9O14S/c1-5-16(2)31-36(59)41-12-28(52)42-26-15-63(62)38-22(21-7-6-19(50)8-23(21)45-38)10-24(33(56)40-13-29(53)46-31)43-37(60)32(17(3)18(4)49)47-35(58)27-9-20(51)14-48(27)39(61)25(11-30(54)55)44-34(26)57/h6-8,16-18,20,24-27,31-32,45,49-51H,5,9-15H2,1-4H3,(H,40,56)(H,41,59)(H,42,52)(H,43,60)(H,44,57)(H,46,53)(H,47,58)(H,54,55)/f/h40-44,46-47,54H

InChIKey: InChIKey=OFILNAORONITPV-OPJIDYGQCQ
SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O

Names:
    alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-L-tryptophan)-
    AMANIN
    Amanine
    BRN 1070214
    HSDB 3457
    21150-21-0
    9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8, 9)(1,5,8,11,14)thiatetraaza cyclooctadecino(18,17-b)indole-6-acetic acid, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-21-(2,3-dihydroxy-1-methylpropyl)-2-hydroxy-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide
    9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetic acid, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-21-(2,3-dihydroxy-1-methylpropyl)-2-hydroxy-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide

Registries:
    PubChem CID 30508
    PubChem ID 172631