
 CHEMBL2309599

 96101  0  0  0  0  0  0  0  0999 V2000
    3.1433   -1.3376    4.0058 C   0  0  0  0  0
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    7.2748  -16.0000    2.4999 H   0  0  0  0  0
    6.9958  -14.3491    0.6717 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2309599

>  <PubChem CID>
71717271

>  <Formula>
C40H46N4O6

>  <Molecular Weight>
678.830000

>  <IUPAC Name>
9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-6-amino-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCN)NC(=O)C(CC3CCCCC3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

>  <Isomeric SMILES>
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

>  <InChI Std. ID>
InChI=1S/C40H46N4O6/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48)/t34-,35+/m1/s1

>  <InChI Key>
IKNOZZKXIDSTRN-GPOMZPHUSA-N

