General Information of the Compound
| Compound ID |
CP0392266
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| Compound Name |
(2S)-2,6-diamino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hexanamide
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| Structure |
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| Formula |
C51H67N9O6
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| Molecular Weight |
902.154
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CCCCN)C(N)=O
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| InChI |
InChI=1S/C51H67N9O6/c1-31(2)24-41(46(54)61)56-48(63)42(25-32(3)4)58-51(66)45(29-37-30-55-40-20-11-10-18-38(37)40)60-49(64)43(27-33-14-6-5-7-15-33)59-50(65)44(57-47(62)39(53)19-12-13-23-52)28-34-21-22-35-16-8-9-17-36(35)26-34/h5-11,14-18,20-22,26,30-32,39,41-45,55H,12-13,19,23-25,27-29,52-53H2,1-4H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,66)(H,59,65)(H,60,64)/t39-,41-,42-,43-,44+,45+/m0/s1
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| InChIKey |
QTUCUNDJYOCBSE-MHRDGXECSA-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