
 SCHEMBL7535795

 62 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL7535795

>  <PubChem CID>
10209703

>  <Formula>
C23H30N6O3

>  <Molecular Weight>
438.532000

>  <IUPAC Name>
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide

>  <XlogP>
0.400

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)CC2=CC=CC=C2

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

>  <InChI Std. ID>
InChI=1S/C23H30N6O3/c24-21(31)19(14-16-8-3-1-4-9-16)29-22(32)18(12-7-13-27-23(25)26)28-20(30)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H2,24,31)(H,28,30)(H,29,32)(H4,25,26,27)/t18-,19-/m0/s1

>  <InChI Key>
LOWYQYUPKIFVHK-OALUTQOASA-N

