General Information of the Compound
| Compound ID |
CP0487956
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| Compound Name |
(2S)-2-[[(2R)-4-methyl-2-[[(2S)-3-methyl-2-[[(2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C40H59N5O8
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| Molecular Weight |
737.939
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C40H59N5O8/c1-24(2)20-29(34(46)43-32(38(50)51)23-28-18-14-11-15-19-28)42-37(49)33(26(5)6)45-36(48)30(21-25(3)4)41-35(47)31(22-27-16-12-10-13-17-27)44-39(52)53-40(7,8)9/h10-19,24-26,29-33H,20-23H2,1-9H3,(H,41,47)(H,42,49)(H,43,46)(H,44,52)(H,45,48)(H,50,51)/t29-,30-,31+,32+,33+/m1/s1
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| InChIKey |
HKHFJNKEXZXQBU-ZPZOKNLESA-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