Try beta.chemspider
- Double-bond stereo
- 8 of 9 defined stereocentres
N-{(6R,9S,10R,13S,18R,22S,24aS)-18-{[(3S)-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 - (6R,7S,10R,11R,12Z,17Z,21S)-6-{[2-(diethylamino)ethyl]sulfonyl}-21-hydroxy-10-isopropyl-11,19-dimeth yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0~3,7~]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone (1:1)
CN(C)C1=CC=C(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)N[C@H](CC)C(=O)N3CCC[C@H]3C(=O)N2C)C=C1.C[C@@H]1C=CC(=O)NCC=CC(C)=C[C@@H](O)CC(=O)CC2=NC(=CO2)C(=O)N2CC[C@H]([C@@H]2C(=O)O[C@@H]1C(C)C)S(=O)(=O)CCN(CC)CC |c:82,88|
InChI=1S/C53H67N9O10S.C34H50N4O9S/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;1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/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);9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b;10-9-,12-11-,23-18?/t31-,35+,37-,38+,39?,40+,43-,44+,45+;24-,25-,28-,31-,32-/m11/s1
PPKJUHVNTMYXOD-XUCYKJOGSA-N
CSID:128942058, http://www.chemspider.com/Chemical-Structure.128942058.html (accessed 05:39, May 12, 2024)
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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