General Information of the Compound
| Compound ID |
CP0415328
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| Compound Name |
(2S,4R)-tert-butyl 2-((S)-6-(benzyloxycarbonylamino)-1-tert-butoxy-1-oxohexan-2-ylcarbamoyl)-4-(cyclohexanecarbonyloxy)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C35H53N3O9
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| Molecular Weight |
659.821
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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)OC(=O)C1CCCCC1
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| InChI |
InChI=1S/C35H53N3O9/c1-34(2,3)46-31(41)27(19-13-14-20-36-32(42)44-23-24-15-9-7-10-16-24)37-29(39)28-21-26(22-38(28)33(43)47-35(4,5)6)45-30(40)25-17-11-8-12-18-25/h7,9-10,15-16,25-28H,8,11-14,17-23H2,1-6H3,(H,36,42)(H,37,39)/t26-,27+,28+/m1/s1
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| InChIKey |
WDOCXNOYIDBITG-PKTNWEFCSA-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