
 CHEMBL320154

 73 76  0  0  0  0  0  0  0  0999 V2000
    7.2626    6.5037    7.2007 C   0  0  0  0  0
    8.1543    5.8119    6.2126 C   0  0  0  0  0
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    6.5405    7.1579    6.7002 H   0  0  0  0  0
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    5.6896    0.6576   -2.8440 H   0  0  0  0  0
    7.0051   -0.4624   -2.5776 H   0  0  0  0  0
    6.0366   -1.3202   -0.7442 H   0  0  0  0  0
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    2.5319   -3.8888   -0.4255 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL320154

>  <PubChem CID>
10369442

>  <Formula>
C28H35N5O5

>  <Molecular Weight>
521.618000

>  <IUPAC Name>
[(2R)-2-[(3-methylphenyl)carbamoylamino]-3-oxo-3-[4-(phenylcarbamoyl)piperidin-1-yl]propyl] pyrrolidine-1-carboxylate

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=CC=C1)NC(=O)NC(COC(=O)N2CCCC2)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

>  <Isomeric SMILES>
CC1=CC(=CC=C1)NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C28H35N5O5/c1-20-8-7-11-23(18-20)30-27(36)31-24(19-38-28(37)33-14-5-6-15-33)26(35)32-16-12-21(13-17-32)25(34)29-22-9-3-2-4-10-22/h2-4,7-11,18,21,24H,5-6,12-17,19H2,1H3,(H,29,34)(H2,30,31,36)/t24-/m1/s1

>  <InChI Key>
CHEUONHPKBJUCB-XMMPIXPASA-N

