General Information of the Compound
| Compound ID |
CP0536707
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| Compound Name |
(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C40H59N5O8S
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| Molecular Weight |
770.006
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(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/C40H59N5O8S/c1-25(2)21-30(43-37(49)32(23-27-15-11-9-12-16-27)45-39(52)53-40(5,6)7)35(47)41-29(19-20-54-8)34(46)42-31(22-26(3)4)36(48)44-33(38(50)51)24-28-17-13-10-14-18-28/h9-18,25-26,29-33H,19-24H2,1-8H3,(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H,45,52)(H,50,51)/t29-,30+,31+,32-,33-/m0/s1
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| InChIKey |
MAHAGRDREWAMLL-MPJBSJSCSA-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