General Information of the Compound
| Compound ID |
CP0471624
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| Compound Name |
(5S)-tert-butyl 5-(tert-butoxycarbonylamino)-6-(4-tert-butoxyphenyl)-4-oxo-3-(phenylsulfonyl)hexanoate
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| Structure |
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| Formula |
C31H43NO8S
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| Molecular Weight |
589.751
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| Canonical SMILES |
CC(C)(C)OC(=O)CC(C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C31H43NO8S/c1-29(2,3)38-22-17-15-21(16-18-22)19-24(32-28(35)40-31(7,8)9)27(34)25(20-26(33)39-30(4,5)6)41(36,37)23-13-11-10-12-14-23/h10-18,24-25H,19-20H2,1-9H3,(H,32,35)/t24-,25?/m0/s1
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| InChIKey |
OVJBQQAXDIXIBU-SKCDSABHSA-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