Try beta.chemspider
- 7 of 9 defined stereocentres
N-{(9S,10R,13S,18R,22S,24aR)-18-{[(3R)-1-Azabicyclo[2.2.2]oct-3-ylsulfanyl]methyl}-22-[4-(dimethylamino)benzyl]-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f ]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxy-2-pyridinecarboxamide
CN(C)C1C=CC(C[C@H]2C(=O)N3C[C@@H](CS[C@H]4CN5CCC4CC5)C(=O)CC3C(=O)N[C@@H](C3C=CC=CC=3)C(=O)O[C@H](C)[C@H](NC(=O)C3N=CC=CC=3O)C(=O)NC(CC)C(=O)N3CCC[C@@H]3C(=O)N2C)=CC=1
InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37?,38-,39?,40+,43+,44+,45+/m1/s1
WTHRRGMBUAHGNI-CMUCLKSJSA-N
CSID:114391432, http://www.chemspider.com/Chemical-Structure.114391432.html (accessed 23:49, Jun 29, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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