CAS Registry Number®

2010159-48-3

Molecular Formula

C57H70ClN7O10S

Molecular Mass

1080.72

Cite this Page

.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2010159-48-3 (retrieved 2024-11-22) (CAS RN: 2010159-48-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C57H70ClN7O10S/c1-36-29-48(62-45-18-16-44(58)17-19-45)47-30-43(15-20-49(47)65(36)38(3)66)40-11-13-42(14-12-40)54(69)59-21-22-72-23-24-73-25-26-74-27-28-75-34-51(68)63-53(57(4,5)6)56(71)64-33-46(67)31-50(64)55(70)60-32-39-7-9-41(10-8-39)52-37(2)61-35-76-52/h7-20,30,35-36,46,48,50,53,62,67H,21-29,31-34H2,1-6H3,(H,59,69)(H,60,70)(H,63,68)/t36-,46+,48+,50-,53+/m0/s1

InChIKey

InChIKey=UHWNJFZTYJNBAN-HYXXSBGTSA-N

SMILES

N([C@H]1C=2C(N(C(C)=O)[C@@H](C)C1)=CC=C(C2)C3=CC=C(C(NCCOCCOCCOCCOCC(N[C@H](C(=O)N4[C@H](C(NCC5=CC=C(C=C5)C6=C(C)N=CS6)=O)C[C@@H](O)C4)C(C)(C)C)=O)=O)C=C3)C7=CC=C(Cl)C=C7

Canonical SMILES

O=C(NCCOCCOCCOCCOCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCC=2C=CC(=CC2)C=3SC=NC3C)C(C)(C)C)C=4C=CC(=CC4)C5=CC=C6C(=C5)C(NC7=CC=C(Cl)C=C7)CC(N6C(=O)C)C

CAS INSIGHTSTM
Targeted protein degrader structure, illustration