
 CHEMBL2177244

 86 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2177244

>  <PubChem CID>
71460777

>  <Formula>
C29H46N6O5

>  <Molecular Weight>
558.724000

>  <IUPAC Name>
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

>  <XlogP>
0.700

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)N)N

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N

>  <InChI Std. ID>
InChI=1S/C29H46N6O5/c1-17(2)14-21(30)29(40)35-13-9-12-24(35)28(39)34-23(15-18(3)4)27(38)32-19(5)26(37)33-22(25(31)36)16-20-10-7-6-8-11-20/h6-8,10-11,17-19,21-24H,9,12-16,30H2,1-5H3,(H2,31,36)(H,32,38)(H,33,37)(H,34,39)/t19-,21-,22-,23-,24-/m0/s1

>  <InChI Key>
CPLGLFUTDBDDPW-DUSBTPNUSA-N

