Analyte Name

SPDB-DM4

Molecular Formula

C46 H63 Cl N4 O14 S2

Molecular Weight

995.594

Accurate Mass

994.347

SMILES

CO[C@@H]1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON3C(=O)CCC3=O)[C@]4(C)O[C@@H]4[C@H](C)[C@@H]5C[C@@]1(O)NC(=O)O5

InChI

InChI=1S/C46H63ClN4O14S2/c1-26-13-11-14-33(61-10)46(59)25-32(62-43(58)48-46)27(2)41-45(6,64-41)34(24-38(55)50(8)30-22-29(21-26)23-31(60-9)40(30)47)63-42(57)28(3)49(7)35(52)18-19-44(4,5)67-66-20-12-15-39(56)65-51-36(53)16-17-37(51)54/h11,13-14,22-23,27-28,32-34,41,59H,12,15-21,24-25H2,1-10H3,(H,48,58)/b14-11+,26-13+/t27-,28+,32+,33-,34+,41-,45+,46+/m1/s1

IUPAC

(2,5-dioxopyrrolidin-1-yl) 4-[[4-[[(1S)-2-[[(1S,2R,3R,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy]-1-methyl-2-oxo-ethyl]-methyl-amino]-1,1-dimethyl-4-oxo-butyl]disulfanyl]butanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat