General Information of the Compound
| Compound ID |
CP0480707
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| Compound Name |
8-[2-((S)-2-tert-Butoxycarbonylamino-2-methyl-3-phenyl-propionylamino)-3-phenyl-propionylamino]-octanoic acid
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| Structure |
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| Formula |
C32H45N3O6
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| Molecular Weight |
567.727
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCC(O)=O
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| InChI |
InChI=1S/C32H45N3O6/c1-31(2,3)41-30(40)35-32(4,23-25-18-12-9-13-19-25)29(39)34-26(22-24-16-10-8-11-17-24)28(38)33-21-15-7-5-6-14-20-27(36)37/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,37)/t26?,32-/m0/s1
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| InChIKey |
RVNFMNWRMLSWER-AKWYTYQQSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound