
 CHEMBL212976

 88 92  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL212976

>  <PubChem CID>
11845276

>  <Formula>
C37H43N5O3

>  <Molecular Weight>
605.783000

>  <IUPAC Name>
N-[(2R)-1-[(2S,4R)-2-[3-(diaminomethylideneamino)propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(CN(C1CCCN=C(N)N)C(=O)C(CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
C1[C@H](CN([C@H]1CCCN=C(N)N)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C37H43N5O3/c38-37(39)40-21-9-16-32-24-33(45-26-29-17-19-30-14-7-8-15-31(30)22-29)25-42(32)36(44)34(23-28-12-5-2-6-13-28)41-35(43)20-18-27-10-3-1-4-11-27/h1-8,10-15,17,19,22,32-34H,9,16,18,20-21,23-26H2,(H,41,43)(H4,38,39,40)/t32-,33+,34+/m0/s1

>  <InChI Key>
AEBQLEXRXNCRKU-LBFZIJHGSA-N

