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- Double-bond stereo
- 16 of 19 defined stereocentres
(2S,3S,4R)-2-{[(2S,3R)-3-Amino-2-({(2S,3R)-2-[({[(4Z,6E)-2,3-dihydroxy-2,6,8-trimethyl-4,6-decadienoyl]amino}acetyl)amino]-3-hydroxybutanoyl}amino)butanoyl]amino}-N-[(3R,4R,7R,13S,16S,19R,25aS)-16-[(1 R)-1-hydroxyethyl]-19-[(R)-(4-hydroxyphenyl)(methoxy)methyl]-3-isopropyl-7-(methoxymethyl)-13,15-dimethyl-1,5,8,11,14,17,20-heptaoxotetracosahydropyrido[2,1-c][1,4,7,10,13,16,19]oxahexaazacyclodocosin -4-yl]-3,4-dimethylpentanediamide
CCC(C)/C=C(\C)/C=C\C(C(C)(C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)N)C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(=O)N)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC1=O)COC)C)C)[C@@H](C)O)[C@@H](c3ccc(cc3)O)OC)C(C)C)O)O
InChI=1S/C66H105N13O21/c1-16-32(4)27-33(5)20-25-44(83)66(12,97)65(96)70-29-46(85)73-49(38(10)80)59(90)75-48(36(8)67)58(89)74-47(34(6)35(7)55(68)86)57(88)76-50-53(31(2)3)100-64(95)43-19-17-18-26-79(43)63(94)51(54(99-15)40-21-23-41(82)24-22-40)77-61(92)52(39(11)81)78(13)62(93)37(9)71-45(84)28-69-56(87)42(30-98-14)72-60(50)91/h20-25,27,31-32,34-39,42-44,47-54,80-83,97H,16-19,26,28-30,67H2,1-15H3,(H2,68,86)(H,69,87)(H,70,96)(H,71,84)(H,72,91)(H,73,85)(H,74,89)(H,75,90)(H,76,88)(H,77,92)/b25-20-,33-27+/t32?,34-,35+,36+,37-,38+,39+,42+,43-,44?,47-,48-,49-,50+,51+,52-,53+,54+,66?/m0/s1
MKAKHXFSEWECNW-UCTGYWDFSA-N
CSID:30787786, http://www.chemspider.com/Chemical-Structure.30787786.html (accessed 02:35, 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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