
 CHEMBL3287059

 99101  0  0  0  0  0  0  0  0999 V2000
    5.4610    3.8612    7.0955 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3287059

>  <PubChem CID>
90643810

>  <Formula>
C34H48N12O5

>  <Molecular Weight>
704.837000

>  <IUPAC Name>
(2S)-2-acetamido-N-[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide

>  <XlogP>
-1.300

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N

>  <Isomeric SMILES>
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N

>  <InChI Std. ID>
InChI=1S/C34H48N12O5/c1-20(47)43-25(13-7-15-40-33(36)37)30(49)46-28(17-21-9-3-2-4-10-21)32(51)44-26(14-8-16-41-34(38)39)31(50)45-27(29(35)48)18-22-19-42-24-12-6-5-11-23(22)24/h2-6,9-12,19,25-28,42H,7-8,13-18H2,1H3,(H2,35,48)(H,43,47)(H,44,51)(H,45,50)(H,46,49)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28+/m0/s1

>  <InChI Key>
ADZYCZZGJSGGOW-LAJGZZDBSA-N

