
 CHEMBL1170639

101101  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1170639

>  <PubChem CID>
49799147

>  <Formula>
C32H53N9O7

>  <Molecular Weight>
675.832000

>  <IUPAC Name>
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

>  <XlogP>
-2.100

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N

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

>  <InChI Std. ID>
InChI=1S/C32H53N9O7/c1-18(2)14-24(41-28(44)22(33)16-21-10-7-6-8-11-21)29(45)37-17-26(42)39-25(15-19(3)4)30(46)38-20(5)27(43)40-23(31(47)48)12-9-13-36-32(34)35/h6-8,10-11,18-20,22-25H,9,12-17,33H2,1-5H3,(H,37,45)(H,38,46)(H,39,42)(H,40,43)(H,41,44)(H,47,48)(H4,34,35,36)/t20-,22-,23-,24-,25-/m0/s1

>  <InChI Key>
BLMNEXIOLBBCMK-NPJMLQJUSA-N

