Analyte Name

DM1-MAL-PEG6-NHS

Molecular Formula

C61 H87 Cl N6 O23 S

Molecular Weight

1339.9

Accurate Mass

1338.52

SMILES

C[C@]12[C@@]([C@@H]([C@]3([H])C[C@]([C@@H](/C=C/C=C(CC4=CC(N(C(C[C@@H]2OC([C@H](C)N(C)C(CCSC5C(N(C(C5)=O)CCC(NCCOCCOCCOCCOCCOCCOCCC(ON6C(CCC6=O)=O)=O)=O)=O)=O)=O)=O)C)=C(C(OC)=C4)Cl)\C)OC)(NC(O3)=O)O)C)([H])O1

InChI

InChI=1S/C61H87ClN6O23S/c1-38-10-9-11-46(81-8)61(79)37-44(88-59(78)64-61)39(2)56-60(4,90-56)47(36-52(73)66(6)42-33-41(32-38)34-43(80-7)55(42)62)89-58(77)40(3)65(5)49(70)16-31-92-45-35-53(74)67(57(45)76)18-14-48(69)63-17-20-83-22-24-85-26-28-87-30-29-86-27-25-84-23-21-82-19-15-54(75)91-68-50(71)12-13-51(68)72/h9-11,33-34,39-40,44-47,56,79H,12-32,35-37H2,1-8H3,(H,63,69)(H,64,78)/b11-9+,38-10+/t39-,40+,44+,45?,46-,47+,56+,60+,61+/m1/s1

IUPAC

2,5-Dioxopyrrolidin-1-yl 1-(3-((3-(((S)-1-(((14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl)oxy)-1-oxopropan-2-yl)(methyl)amino)-3-oxopropyl)thio)-2,5-dioxopyrrolidin-1-yl)-3-oxo-7,10,13,16,19,22-hexaoxa-4-azapentacosan-25-oate

Country of Origin

CANADA

Product Type

Synthesis tool

Product Format

Neat