
 CHEMBL332414

 79 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL332414

>  <PubChem CID>
10675800

>  <Formula>
C32H39IN4O3

>  <Molecular Weight>
654.593000

>  <IUPAC Name>
(E)-5-amino-N-[(2R)-1-[[(2R)-3-(4-iodophenyl)-1-(methylamino)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=C(C=C3)I)C(=O)NC)N

>  <Isomeric SMILES>
CC(C)(C/C=C/C(=O)N(C)[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)[C@H](CC3=CC=C(C=C3)I)C(=O)NC)N

>  <InChI Std. ID>
InChI=1S/C32H39IN4O3/c1-32(2,34)18-8-11-29(38)36(4)28(21-23-12-15-24-9-6-7-10-25(24)19-23)31(40)37(5)27(30(39)35-3)20-22-13-16-26(33)17-14-22/h6-17,19,27-28H,18,20-21,34H2,1-5H3,(H,35,39)/b11-8+/t27-,28-/m1/s1

>  <InChI Key>
LDZXZPPOLPRETN-ODNGPVGPSA-N

