
 L-362855

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M  END

>  <Chemical Name>
L-362855

>  <PubChem CID>
9876510

>  <Formula>
C57H70N10O8

>  <Molecular Weight>
1023.249000

>  <IUPAC Name>
(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19-heptazacyclohexacosane-2,5,8,11,14,17,20-heptone

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
11

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C1C(=O)NC(C(=O)NCCCCCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)CC7=CC=CC=C7)O

>  <Isomeric SMILES>
C[C@H]([C@H]1C(=O)N[C@H](C(=O)NCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)CC7=CC=CC=C7)O

>  <InChI Std. ID>
InChI=1S/C57H70N10O8/c1-36(68)51-57(75)66-46(30-37-18-6-4-7-19-37)52(70)59-29-17-3-2-10-27-50(69)62-47(31-38-20-8-5-9-21-38)54(72)64-49(33-40-35-61-44-25-14-12-23-42(40)44)56(74)65-48(32-39-34-60-43-24-13-11-22-41(39)43)55(73)63-45(53(71)67-51)26-15-16-28-58/h4-9,11-14,18-25,34-36,45-49,51,60-61,68H,2-3,10,15-17,26-33,58H2,1H3,(H,59,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,75)(H,67,71)/t36-,45+,46+,47+,48-,49+,51+/m1/s1

>  <InChI Key>
CDHQUESZSCDTRS-CXGHXKFRSA-N

