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DM1-MCC-PEG4-DBCO
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DM1-MCC-PEG4-DBCO

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Catalog NumberCCR240
IUPAC Name[(2R,3S,5S,6S,16E,18E,20R)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2R)-2-[3-[3-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylsulfanyl]propanoyl-methylamino]propanoate
Molecular Weight1272.9
Molecular FormulaC65H82ClN5O17S
Canonical SMILESCC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCSC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C)C)OC)(NC(=O)O2)O
InChIInChI=1S/C65H82ClN5O17S/c1-42-14-13-19-53(81-8)65(79)40-52(86-63(78)68-65)43(2)61-64(4,88-61)54(39-58(75)70(6)50-37-45(36-42)38-51(80-7)60(50)66)87-62(77)44(3)69(5)56(73)25-35-89-59(76)24-28-83-30-32-85-34-33-84-31-29-82-27-23-55(72)67-26-22-57(74)71-41-48-17-10-9-15-46(48)20-21-47-16-11-12-18-49(47)71/h9-19,37-38,43-44,52-54,61,79H,22-36,39-41H2,1-8H3,(H,67,72)(H,68,78)/b19-13+,42-14+/t43-,44-,52?,53-,54+,61+,64+,65?/m1/s1
InChI KeyMNUGQVSCIIECEW-QYMGBKAXSA-N
Purity98%
ApplicationSPAAC & SPANC Click Reaction
Storage-20 °C
Complexity2530
Exact Mass1271.5114950
Isomeric SMILESC[C@H]1[C@H]2[C@@](O2)([C@H](CC(=O)N(C3=C(C(=CC(=C3)C/C(=C/C=C/[C@H](C4(CC1OC(=O)N4)O)OC)/C)OC)Cl)C)OC(=O)[C@@H](C)N(C)C(=O)CCSC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C
Monoisotopic Mass1271.5114950
Topological Polar Surface Area285Ų

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