
 CHEMBL97133

 83 86  0  0  0  0  0  0  0  0999 V2000
    3.1695    3.3492   -0.0442 C   0  0  0  0  0
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    6.6923    4.2033   -3.8736 H   0  0  0  0  0
    5.4480    2.0923   -3.9871 H   0  0  0  0  0
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    8.4023    2.9641    3.8756 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL97133

>  <PubChem CID>
44329055

>  <Formula>
C34H42N4O3

>  <Molecular Weight>
554.735000

>  <IUPAC Name>
N-tert-butyl-2-[(3R,5S,7R)-5-(2-ethylphenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-7-phenylazepan-1-yl]acetamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=CC=CC=C1C2CC(C(=O)N(C(C2)C3=CC=CC=C3)CC(=O)NC(C)(C)C)NC(=O)NC4=CC=CC(=C4)C

>  <Isomeric SMILES>
CCC1=CC=CC=C1[C@H]2C[C@H](C(=O)N([C@H](C2)C3=CC=CC=C3)CC(=O)NC(C)(C)C)NC(=O)NC4=CC=CC(=C4)C

>  <InChI Std. ID>
InChI=1S/C34H42N4O3/c1-6-24-14-10-11-18-28(24)26-20-29(36-33(41)35-27-17-12-13-23(2)19-27)32(40)38(22-31(39)37-34(3,4)5)30(21-26)25-15-8-7-9-16-25/h7-19,26,29-30H,6,20-22H2,1-5H3,(H,37,39)(H2,35,36,41)/t26-,29+,30+/m0/s1

>  <InChI Key>
AKHKIVGBTDKSGG-NPBSGPTKSA-N

