
 CHEMBL389363

 76 80  0  0  0  0  0  0  0  0999 V2000
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    5.3220    1.1673   -0.5024 H   0  0  0  0  0
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    2.8211    7.1926    1.6918 H   0  0  0  0  0
    3.1913    9.5391    2.3421 H   0  0  0  0  0
    3.5020   11.2882    0.6124 H   0  0  0  0  0
    3.4519   10.6739   -1.7891 H   0  0  0  0  0
    3.0986    8.3510   -2.4696 H   0  0  0  0  0
    7.2440    4.8774    0.8745 H   0  0  0  0  0
    4.9208    5.9833    2.5857 H   0  0  0  0  0
    8.2600    4.5954    3.1601 H   0  0  0  0  0
    9.9430    5.5773    4.6692 H   0  0  0  0  0
    9.6213    7.8611    5.5847 H   0  0  0  0  0
    7.5972    9.1630    4.9807 H   0  0  0  0  0
    5.9143    8.2053    3.4506 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL389363

>  <PubChem CID>
44428416

>  <Formula>
C34H34N2O6

>  <Molecular Weight>
566.654000

>  <IUPAC Name>
benzyl 4,4-dimethyl-3-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]pentanoate

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C)C(=O)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)N3C(COC3=O)C4=CC=CC=C4)C=CC5=CC=CC=C5

>  <Isomeric SMILES>
CC(C)(C)C(=O)C(C(=O)OCC1=CC=CC=C1)N2[C@@H]([C@@H](C2=O)N3[C@H](COC3=O)C4=CC=CC=C4)/C=C/C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C34H34N2O6/c1-34(2,3)30(37)29(32(39)41-21-24-15-9-5-10-16-24)35-26(20-19-23-13-7-4-8-14-23)28(31(35)38)36-27(22-42-33(36)40)25-17-11-6-12-18-25/h4-20,26-29H,21-22H2,1-3H3/b20-19+/t26-,27-,28+,29?/m1/s1

>  <InChI Key>
BSBZSBHZLZTQGT-PTTXETFJSA-N

