
 CHEMBL3753010

 81 83  0  0  0  0  0  0  0  0999 V2000
    0.5220    1.2546   -0.9616 C   0  0  0  0  0
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    1.5280    2.2894    1.3617 H   0  0  0  0  0
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    4.6088   -1.2877   -1.4597 H   0  0  0  0  0
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    7.3029   -0.6545  -10.1355 H   0  0  0  0  0
    9.0267   -0.3783   -9.6316 H   0  0  0  0  0
    5.3366    2.7676    0.1860 H   0  0  0  0  0
    7.1295    3.3718    1.2718 H   0  0  0  0  0
    7.5076    1.2015    3.3960 H   0  0  0  0  0
    6.2927    2.4582    3.3836 H   0  0  0  0  0
    9.3214    2.7875    3.7234 H   0  0  0  0  0
    8.3606    4.7977    2.5243 H   0  0  0  0  0
    9.0809    5.1333    4.0809 H   0  0  0  0  0
    6.9722    6.3558    3.8549 H   0  0  0  0  0
    6.0861    4.8709    3.5285 H   0  0  0  0  0
    7.5208    5.6271    6.1211 H   0  0  0  0  0
    5.7805    5.5061    5.8815 H   0  0  0  0  0
    6.7518    3.5130    7.0532 H   0  0  0  0  0
    5.9161    3.0890    5.5674 H   0  0  0  0  0
    8.9292    3.3448    5.9932 H   0  0  0  0  0
    8.0415    1.8597    5.6910 H   0  0  0  0  0
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   11.1682    3.4336   -2.2416 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3753010

>  <PubChem CID>
127037435

>  <Formula>
C29H42N4O6

>  <Molecular Weight>
542.677000

>  <IUPAC Name>
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C(C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C(CC2CCCCC2)NC(=O)C3=CC=NO3

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)[C@H](CC2CCCCC2)NC(=O)C3=CC=NO3

>  <InChI Std. ID>
InChI=1S/C29H42N4O6/c1-5-19(2)26(29(36)30-15-13-21-11-12-23(37-3)25(18-21)38-4)33-27(34)22(17-20-9-7-6-8-10-20)32-28(35)24-14-16-31-39-24/h11-12,14,16,18-20,22,26H,5-10,13,15,17H2,1-4H3,(H,30,36)(H,32,35)(H,33,34)/t19-,22-,26-/m0/s1

>  <InChI Key>
KQIPBZDFQCUVDQ-NHZRIVAWSA-N

