phalloidin

[1. Best known of the toxic cyclic peptides produced by the poisonous mushroom, Amanita phalloides; closely related to amanitin.

InChI: InChI=1/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)/t15-,16-,17-,18-,22-,23-,24-,25-,26+,35+/m0/s1

InChIKey: InChIKey=KPKZJLCSROULON-QKGLWVMZBU
SMILES: [H][C@]12CSC3=C(C[C@]([H])(NC(=O)[C@H](C)NC(=O)[C@]4([H])C[C@H](O)CN4C1=O)C(=O)N[C@@H](C[C@@](C)(O)CO)C(=O)N[C@@H](C)C(=O)N[C@]([H])([C@H](C)O)C(=O)N2)C5=C(N3)C=CC=C5

CAS number 17466-45-4

Names:
    cyclic(L-alanyl-D-threonyl-L-cysteinyl-cis-4-hydroxy-L-prolyl-L-
    Phalloidin
    Phalloidine
    Phalloidin
    Phalloidine
    phalloidin

Registries:
    PubChem CID 441542
    Beilstein =4347460
    CAS 17466-45-4 (from NIST)
    ChEBI 8040
    Kegg C08439
    PubChem ID 10633