
 AC1LA88L

 89 94  0  0  0  0  0  0  0  0999 V2000
    6.8945    5.4893   -0.5463 C   0  0  0  0  0
    6.4157    6.5155   -1.5606 C   0  0  0  0  0
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    5.6494   10.0746    1.2245 H   0  0  0  0  0
    4.0165    9.9291    0.5974 H   0  0  0  0  0
    3.5373   10.6155   -1.8122 H   0  0  0  0  0
    4.1385   12.1559   -3.6482 H   0  0  0  0  0
    6.3625   13.2550   -3.6787 H   0  0  0  0  0
    7.9909   12.8070   -1.8624 H   0  0  0  0  0
    7.4095   11.2639   -0.0227 H   0  0  0  0  0
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M  END

>  <Chemical Name>
AC1LA88L

>  <PubChem CID>
483347

>  <Formula>
C37H43N5O4

>  <Molecular Weight>
621.782000

>  <IUPAC Name>
benzyl N-ethyl-N-[1-[4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylbutyl]piperidin-4-yl]carbamate

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(C1CCN(CC1)CCC(CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

>  <Isomeric SMILES>
CCN(C1CCN(CC1)CCC(CN2C(=O)[C@H](NC2=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,34,38H,2,17-23,25-26H2,1H3,(H,39,44)/t29?,34-/m1/s1

>  <InChI Key>
BQRVLHNYCPOZSY-VWERDZHISA-N

