Try beta.chemspider
- 9 of 9 defined stereocentres
(3R)-3-[(4aS,7S,10R,12aS,17bR,18aS,21R,24S)-14,15-Dichloro-17b-hydroxy-7-(methoxymethyl)-21-(1-methylcyclopropyl)-24-(2-methyl-2-propanyl)-5,8,11,19,22,25-hexaoxo-1,2,3,4,4a,5,6,7,8,9,10,11,13,17b,18, 18a,19,20,21,22,24,25-docosahydro-12aH-pyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadecino[7',6':1,5]pyrrolo[2,3-b]indol-10-yl]-3-hydroxypropanoic acid
CC1(CC1)[C@@H]2C(=O)O[C@H](C(=O)N3[C@@H](CCCN3)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N4[C@@H](C[C@@]5([C@H]4NC6=C5C=CC(=C6Cl)Cl)O)C(=O)N2)[C@@H](CC(=O)O)O)COC)C(C)(C)C
InChI=1S/C37H49Cl2N7O12/c1-35(2,3)27-32(54)46-19(7-6-12-40-46)29(51)41-18(15-57-5)28(50)42-25(21(47)13-22(48)49)31(53)45-20(30(52)44-26(33(55)58-27)36(4)10-11-36)14-37(56)16-8-9-17(38)23(39)24(16)43-34(37)45/h8-9,18-21,25-27,34,40,43,47,56H,6-7,10-15H2,1-5H3,(H,41,51)(H,42,50)(H,44,52)(H,48,49)/t18-,19-,20-,21+,25+,26-,27+,34-,37+/m0/s1
IAEFGGKMOTXDSA-QLXFUGDFSA-N
CSID:9753528, http://www.chemspider.com/Chemical-Structure.9753528.html (accessed 02:29, Jul 4, 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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