General Information of the Compound
| Compound ID |
CP0392264
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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-(4-tert-butylphenyl)-1-oxopropan-2-yl]hexanamide
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| Structure |
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| Formula |
C51H73N9O6
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| Molecular Weight |
908.202
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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](Cc1ccc(cc1)C(C)(C)C)NC(=O)[C@@H](N)CCCCN)C(N)=O
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| InChI |
InChI=1S/C51H73N9O6/c1-31(2)25-40(45(54)61)56-47(63)41(26-32(3)4)58-50(66)44(29-35-30-55-39-19-12-11-17-37(35)39)60-49(65)43(27-33-15-9-8-10-16-33)59-48(64)42(57-46(62)38(53)18-13-14-24-52)28-34-20-22-36(23-21-34)51(5,6)7/h8-12,15-17,19-23,30-32,38,40-44,55H,13-14,18,24-29,52-53H2,1-7H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,66)(H,59,64)(H,60,65)/t38-,40-,41-,42+,43-,44+/m0/s1
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| InChIKey |
MXCCUZSOTVUGHB-YOSOBYEJSA-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