General Information of the Compound
| Compound ID |
CP0224677
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| Compound Name |
(4S)-4-acetamido-5-[[(2S,3R)-1-[[(2S)-1-(carboxymethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C22H30N4O9
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| Molecular Weight |
494.501
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| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
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| InChI |
InChI=1S/C22H30N4O9/c1-12(27)19(26-21(34)15(24-13(2)28)8-9-17(29)30)22(35)25-16(20(33)23-11-18(31)32)10-14-6-4-3-5-7-14/h3-7,12,15-16,19,27H,8-11H2,1-2H3,(H,23,33)(H,24,28)(H,25,35)(H,26,34)(H,29,30)(H,31,32)/t12-,15+,16+,19+/m1/s1
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| InChIKey |
AKMZNFCXAKQFRL-OYWVLEMYSA-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