Try beta.chemspider
- Double-bond stereo
- 7 of 9 defined stereocentres
N-{(6R,7E,9S,10R,13S,14E,18R,22S)-18-{[(3S)-1-Azabicyclo[2.2.2]oct-3-ylsulfanyl]methyl}-22-[4-(dimethylamino)benzyl]-6-ethyl-8,15-dihydroxy-10,23-dimethyl-5,12,17,21,24-pentaoxo-13-phenyl-1,2,3,5,6,9, 10,13,15a,16,17,18,19,21,22,23,24,24a-octadecahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxy-2-pyridinecarboximidic acid - (6R,10R,11R,12Z,14E,17Z,19Z,2 1S)-6-{[2-(diethylamino)ethyl]sulfonyl}-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0~3,7~]octacosa-1(27),12,14,17,19,25(28)-hexaene-2,8,23-trione (1:1)
CC[C@@H]/1C(=O)N2CCCC2C(=O)N([C@H](C(=O)N3C[C@H](C(=O)CC3/C(=N\[C@H](C(=O)O[C@@H]([C@@H](/C(=N1)/O)N=C(c4c(cccn4)O)O)C)c5ccccc5)/O)CS[C@@H]6CN7CCC6CC7)Cc8ccc(cc8)N(C)C)C.CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C1C(=O)O[C@@H]([C@@H](/C=C\C(=N/C/C=C\C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)\C)\O)C)C(C)C
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-ATBOZMSLSA-N
CSID:57643556, http://www.chemspider.com/Chemical-Structure.57643556.html (accessed 11:52, 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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