
 SCHEMBL14466685

 65 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL14466685

>  <PubChem CID>
71499220

>  <Formula>
C27H30N4O4

>  <Molecular Weight>
474.561000

>  <IUPAC Name>
(1R,9R,10S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCC23CC(=O)CCC2(C1CC4=C3C(=C(C=C4)C(=O)NCCC5=NC6=CC=CC=C6N5)O)O

>  <Isomeric SMILES>
CN1CC[C@]23CC(=O)CC[C@]2([C@H]1CC4=C3C(=C(C=C4)C(=O)NCCC5=NC6=CC=CC=C6N5)O)O

>  <InChI Std. ID>
InChI=1S/C27H30N4O4/c1-31-13-11-26-15-17(32)8-10-27(26,35)21(31)14-16-6-7-18(24(33)23(16)26)25(34)28-12-9-22-29-19-4-2-3-5-20(19)30-22/h2-7,21,33,35H,8-15H2,1H3,(H,28,34)(H,29,30)/t21-,26-,27-/m1/s1

>  <InChI Key>
AHVXNGYBEDTABI-SACAOSOOSA-N

