
 CHEMBL1802366

120122  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1802366

>  <PubChem CID>
56666432

>  <Formula>
C43H59N11O7

>  <Molecular Weight>
842.015000

>  <IUPAC Name>
(2S,3R)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)CN

>  <Isomeric SMILES>
CC[C@@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)CN

>  <InChI Std. ID>
InChI=1S/C43H59N11O7/c1-3-27(2)37(54-41(60)33(23-29-16-9-5-10-17-29)50-36(56)26-49-35(55)25-44)42(61)53-34(24-30-18-11-6-12-19-30)40(59)51-31(20-13-21-48-43(46)47)39(58)52-32(38(45)57)22-28-14-7-4-8-15-28/h4-12,14-19,27,31-34,37H,3,13,20-26,44H2,1-2H3,(H2,45,57)(H,49,55)(H,50,56)(H,51,59)(H,52,58)(H,53,61)(H,54,60)(H4,46,47,48)/t27-,31+,32+,33+,34+,37+/m1/s1

>  <InChI Key>
GDRXVOHKHQJQLQ-BRBDGUISSA-N

