Product Identifiers
Catalog # | NX36083 |
CAS Number | 23109-05-9 |
EC Numberr | 245-432-2 |
PubChem CID | 24721279 |
Chemical Name | alpha-Amanitin, from Amanita Phalloides |
IUPAC Name | 2-[(1S,4R,12S,15R,33S)-33-butan-2-yl-12-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,21-dihydroxy-2,5,10,13,26,29,32,35,38-nonaoxo-26lambda4-thia-3,6,11,14,24,28,31,34,37-nonazapentacyclo[13.12.11.16,9.017,25.018,23]nonatriaconta-17(25),18(23),19,21-tetraen-4-yl]acetamide |
InChI | InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-10-29(55)43-25-15-64(63)38-20(19-6-5-18(51)7-22(19)46-38)8-23(34(58)41-11-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-33(57)21-12-49(13-26(21)52)39(62)24(9-28(40)54)45-35(25)59/h5-7,16-17,21,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,58)(H,42,60)(H,43,55)(H,44,61)(H,45,59)(H,47,56)(H,48,57)/t16?,17-,21?,23+,24+,25+,26?,27-,31-,32-,64?/m0/s1 |
InChIKey | LSMJKGIULKKEQZ-SPUGEYPESA-N |
SMILES | CCC(C)[C@@H]1NC(=O)CNC(=O)[C@H]2Cc3c([nH]c4cc(O)ccc34)S(=O)C[C@@H](NC(=O)CNC1=O)C(=O)N[C@H](CC(=O)N)C(=O)N5CC(O)C(C5)C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2 |
MDL Number | MFCD00215842 |
Specification
MW | 919 |
MF | C39H54N10O14S |
Special Remarks | Store at -20¡C |
Cat Number | BIA8415 |
Manufacturer | Apollo Scientific |
Country of Origin | United Kingdom |