
 CHEMBL174818

 84 87  0  0  0  0  0  0  0  0999 V2000
    6.7097    2.1169   -2.4478 C   0  0  0  0  0
    6.1886    0.7443   -2.3066 C   0  0  0  0  0
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    6.4104   -0.5850    1.8459 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL174818

>  <PubChem CID>
10627333

>  <Formula>
C31H41N5O7

>  <Molecular Weight>
595.697000

>  <IUPAC Name>
2-[(1R)-1-[[(2S)-2-[(1-methoxycarbonylcyclohexyl)carbamoylamino]-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(N=C(O1)C(CC2=CN(C3=CC=CC=C32)C)NC(=O)C(CC(C)C)NC(=O)NC4(CCCCC4)C(=O)OC)C(=O)O

>  <Isomeric SMILES>
CC1=C(N=C(O1)[C@@H](CC2=CN(C3=CC=CC=C32)C)NC(=O)[C@H](CC(C)C)NC(=O)NC4(CCCCC4)C(=O)OC)C(=O)O

>  <InChI Std. ID>
InChI=1S/C31H41N5O7/c1-18(2)15-22(33-30(41)35-31(29(40)42-5)13-9-6-10-14-31)26(37)32-23(27-34-25(28(38)39)19(3)43-27)16-20-17-36(4)24-12-8-7-11-21(20)24/h7-8,11-12,17-18,22-23H,6,9-10,13-16H2,1-5H3,(H,32,37)(H,38,39)(H2,33,35,41)/t22-,23+/m0/s1

>  <InChI Key>
CAWORLTZNUHRES-XZOQPEGZSA-N

