
 GR100679

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M  END

>  <Chemical Name>
GR100679

>  <PubChem CID>
5311129

>  <Formula>
C34H44N6O5

>  <Molecular Weight>
616.763000

>  <IUPAC Name>
N-[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide

>  <XlogP>
3.400

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)C)NC(=O)CNC(=O)C4CCCCC4

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N(C)C)NC(=O)CNC(=O)C4CCCCC4

>  <InChI Std. ID>
InChI=1S/C34H44N6O5/c1-22(37-30(41)21-36-32(43)24-14-8-5-9-15-24)31(42)38-28(19-25-20-35-27-17-11-10-16-26(25)27)33(44)39-29(34(45)40(2)3)18-23-12-6-4-7-13-23/h4,6-7,10-13,16-17,20,22,24,28-29,35H,5,8-9,14-15,18-19,21H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t22-,28+,29-/m0/s1

>  <InChI Key>
IBHXDZADSPABSD-GJDOKZOISA-N

