CAS Registry Number®
2010159-47-2
No image available.
Molecular Formula
C55H66ClN7O9SMolecular Mass
1036.67Cite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2010159-47-2 (retrieved ) (CAS RN: 2010159-47-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C55H66ClN7O9S/c1-34-27-46(60-43-18-16-42(56)17-19-43)45-28-41(15-20-47(45)63(34)36(3)64)38-11-13-40(14-12-38)52(67)57-21-22-70-23-24-71-25-26-72-32-49(66)61-51(55(4,5)6)54(69)62-31-44(65)29-48(62)53(68)58-30-37-7-9-39(10-8-37)50-35(2)59-33-73-50/h7-20,28,33-34,44,46,48,51,60,65H,21-27,29-32H2,1-6H3,(H,57,67)(H,58,68)(H,61,66)/t34-,44+,46+,48-,51+/m0/s1
InChIKey
InChIKey=FYSWLIFIYIVHPI-DDWISSAJSA-N
SMILES
N([C@H]1C=2C(N(C(C)=O)[C@@H](C)C1)=CC=C(C2)C3=CC=C(C(NCCOCCOCCOCC(N[C@H](C(=O)N4[C@H](C(NCC5=CC=C(C=C5)C=6SC=NC6C)=O)C[C@@H](O)C4)C(C)(C)C)=O)=O)C=C3)C7=CC=C(Cl)C=C7
Canonical SMILES
O=C(NCCOCCOCCOCC(=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
