
 CHEMBL1802433

102103  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1802433

>  <PubChem CID>
56662959

>  <Formula>
C34H49N11O8

>  <Molecular Weight>
739.835000

>  <IUPAC Name>
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide

>  <XlogP>
-2.8

>  <Hydrogen Bond Donors>
11

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC(C(=O)NC(CO)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)CNC(=O)CN

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CO)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)CNC(=O)CN

>  <InChI Std. ID>
InChI=1S/C34H49N11O8/c1-20(41-28(48)18-40-27(47)17-35)30(50)45-26(19-46)33(53)44-25(16-22-11-6-3-7-12-22)32(52)42-23(13-8-14-39-34(37)38)31(51)43-24(29(36)49)15-21-9-4-2-5-10-21/h2-7,9-12,20,23-26,46H,8,13-19,35H2,1H3,(H2,36,49)(H,40,47)(H,41,48)(H,42,52)(H,43,51)(H,44,53)(H,45,50)(H4,37,38,39)/t20-,23-,24-,25-,26-/m0/s1

>  <InChI Key>
HYVFXOIFBMUDNU-REVLRCOSSA-N

