
 CHEMBL566760

 83 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL566760

>  <PubChem CID>
45487285

>  <Formula>
C32H37N9O5

>  <Molecular Weight>
627.706000

>  <IUPAC Name>
N-[(2S)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)O

>  <InChI Std. ID>
InChI=1S/C32H37N9O5/c33-28(43)25(7-4-12-37-32(34)35)39-30(45)26(13-19-5-2-1-3-6-19)41-31(46)27(16-23-17-36-18-38-23)40-29(44)22-9-8-21-15-24(42)11-10-20(21)14-22/h1-3,5-6,8-11,14-15,17-18,25-27,42H,4,7,12-13,16H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t25-,26-,27+/m1/s1

>  <InChI Key>
DLOCVLGKPMETOO-PFBJBMPXSA-N

