
 SCHEMBL804623

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M  END

>  <Chemical Name>
SCHEMBL804623

>  <PubChem CID>
11527086

>  <Formula>
C29H36Cl2N4O4

>  <Molecular Weight>
575.531000

>  <IUPAC Name>
(7R,10R,13S)-13-cyclopropyl-7-[(3,4-dichlorophenyl)methyl]-10,11-dimethyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1C(=O)NC(C(=O)NCCCC2=CC=CC=C2OCCNC(C(=O)N1C)C3CC3)CC4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C[C@@H]1C(=O)N[C@@H](C(=O)NCCCC2=CC=CC=C2OCCN[C@H](C(=O)N1C)C3CC3)CC4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C29H36Cl2N4O4/c1-18-27(36)34-24(17-19-9-12-22(30)23(31)16-19)28(37)33-13-5-7-20-6-3-4-8-25(20)39-15-14-32-26(21-10-11-21)29(38)35(18)2/h3-4,6,8-9,12,16,18,21,24,26,32H,5,7,10-11,13-15,17H2,1-2H3,(H,33,37)(H,34,36)/t18-,24-,26+/m1/s1

>  <InChI Key>
BAYBKNUWBDTZMD-UFKXBGGNSA-N

