
 CHEMBL2372486

201201  0  0  0  0  0  0  0  0999 V2000
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 85 87  1  0  0  0
 85 86  1  0  0  0
 85196  1  0  0  0
 86197  1  0  0  0
 86198  1  0  0  0
 86199  1  0  0  0
 87200  1  0  0  0
 88201  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2372486

>  <PubChem CID>
73348699

>  <Formula>
C63H113N11O14

>  <Molecular Weight>
1248.660000

>  <IUPAC Name>
(3S,6S,9R,12S,15S,21S,24S,27S,30S,33S)-3-hydroxy-21-[(1R)-1-hydroxyethyl]-24-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,6,10,19,25,28-hexamethyl-9,12,15,30,33-pentakis(2-methylpropyl)-3,27-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
CC=CCC(C)C(C1C(=O)NC(C(=O)N(CC(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)CC(C)C)C)(C(C)C)O)C)CC(C)C)C)CC(C)C)CC(C)C)C)C(C)O)O

>  <Isomeric SMILES>
C/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)CC(C)C)C)(C(C)C)O)C)CC(C)C)C)CC(C)C)CC(C)C)C)[C@@H](C)O)O

>  <InChI Std. ID>
InChI=1S/C63H113N11O14/c1-24-25-26-40(16)52(77)51-57(82)68-49(42(18)75)60(85)70(19)32-48(76)65-43(27-33(2)3)54(79)66-44(28-34(4)5)58(83)71(20)46(30-36(8)9)55(80)64-41(17)53(78)69-63(88,39(14)15)62(87)72(21)47(31-37(10)11)56(81)67-45(29-35(6)7)59(84)73(22)50(38(12)13)61(86)74(51)23/h24-25,33-47,49-52,75,77,88H,26-32H2,1-23H3,(H,64,80)(H,65,76)(H,66,79)(H,67,81)(H,68,82)(H,69,78)/b25-24+/t40-,41+,42-,43+,44+,45+,46-,47+,49+,50+,51+,52-,63+/m1/s1

>  <InChI Key>
CYIMASFXSXECJB-UPTAYYKHSA-N

