General Information of the Compound
| Compound ID |
CP0505070
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| Compound Name |
(2S)-2,6-diamino-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
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| Structure |
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| Formula |
C46H65N13O9
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| Molecular Weight |
944.108
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| Canonical SMILES |
NCCCC[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C46H65N13O9/c47-21-11-10-19-32(48)41(64)54-26-38(61)53-27-39(62)55-35(24-30-15-6-2-7-16-30)43(66)59-37(28-60)45(68)58-36(25-31-17-8-3-9-18-31)44(67)56-33(20-12-22-52-46(50)51)42(65)57-34(40(49)63)23-29-13-4-1-5-14-29/h1-9,13-18,32-37,60H,10-12,19-28,47-48H2,(H2,49,63)(H,53,61)(H,54,64)(H,55,62)(H,56,67)(H,57,65)(H,58,68)(H,59,66)(H4,50,51,52)/t32-,33-,34-,35-,36-,37-/m0/s1
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| InChIKey |
KWKFNWHICGXYDC-DUGSHLAESA-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