General Information of the Compound
| Compound ID |
CP0462118
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| Compound Name |
(2S,4R)-tert-butyl 4-(benzyloxy)-2-((S)-6-(benzyloxycarbonylamino)-1-tert-butoxy-1-oxohexan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C35H49N3O8
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| Molecular Weight |
639.79
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| Canonical SMILES |
CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)OCc1ccccc1
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| InChI |
InChI=1S/C35H49N3O8/c1-34(2,3)45-31(40)28(19-13-14-20-36-32(41)44-24-26-17-11-8-12-18-26)37-30(39)29-21-27(43-23-25-15-9-7-10-16-25)22-38(29)33(42)46-35(4,5)6/h7-12,15-18,27-29H,13-14,19-24H2,1-6H3,(H,36,41)(H,37,39)/t27-,28+,29+/m1/s1
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| InChIKey |
ZEIXRPVDVMJLIP-ULNSLHSMSA-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