
 CHEMBL384204

 86 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL384204

>  <PubChem CID>
11995357

>  <Formula>
C30H48N4O4

>  <Molecular Weight>
528.738000

>  <IUPAC Name>
(7S,10R,13R)-13-(cyclohexylmethyl)-10-propan-2-yl-7-propyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1C(=O)NCCCC2=CC=CC=C2OCCNC(C(=O)NC(C(=O)N1)C(C)C)CC3CCCCC3

>  <Isomeric SMILES>
CCC[C@H]1C(=O)NCCCC2=CC=CC=C2OCCN[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)CC3CCCCC3

>  <InChI Std. ID>
InChI=1S/C30H48N4O4/c1-4-11-24-28(35)32-17-10-15-23-14-8-9-16-26(23)38-19-18-31-25(20-22-12-6-5-7-13-22)29(36)34-27(21(2)3)30(37)33-24/h8-9,14,16,21-22,24-25,27,31H,4-7,10-13,15,17-20H2,1-3H3,(H,32,35)(H,33,37)(H,34,36)/t24-,25+,27+/m0/s1

>  <InChI Key>
GATBDLOFGQKRNC-ZWEKWIFMSA-N

