
 CHEMBL2370313

 97 99  0  0  0  0  0  0  0  0999 V2000
    2.3239   -1.6841   -0.6984 C   0  0  0  0  0
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    3.3093    6.1658    3.4940 H   0  0  0  0  0
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    4.7144    0.7100    4.9670 H   0  0  0  0  0
    6.8681   -1.1522    4.8578 H   0  0  0  0  0
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    3.3107   -6.0734    1.2032 H   0  0  0  0  0
    4.4523   -7.3768    0.7819 H   0  0  0  0  0
    4.4544   -5.8447   -0.1342 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2370313

>  <PubChem CID>
73353027

>  <Formula>
C34H50N8O5

>  <Molecular Weight>
650.825000

>  <IUPAC Name>
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C

>  <Isomeric SMILES>
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C34H50N8O5/c1-5-37-32(46)29-13-9-17-42(29)33(47)26(12-8-16-38-34(35)36)40-30(44)27(18-21(2)3)41-31(45)28(39-22(4)43)20-23-14-15-24-10-6-7-11-25(24)19-23/h6-7,10-11,14-15,19,21,26-29H,5,8-9,12-13,16-18,20H2,1-4H3,(H,37,46)(H,39,43)(H,40,44)(H,41,45)(H4,35,36,38)/t26-,27-,28-,29-/m0/s1

>  <InChI Key>
BOZZXMOOEYASOK-DZUOILHNSA-N

