General Information of the Compound
| Compound ID |
CP0782758
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| Compound Name |
(S)-3-acetamido-4-((S)-1-carboxyethylamino)-4-oxobutanoic acid
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| Structure |
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| Formula |
C9H14N2O6
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| Molecular Weight |
246.219
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| Canonical SMILES |
CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O
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| InChI |
InChI=1S/C9H14N2O6/c1-4(9(16)17)10-8(15)6(3-7(13)14)11-5(2)12/h4,6H,3H2,1-2H3,(H,10,15)(H,11,12)(H,13,14)(H,16,17)/t4-,6-/m0/s1
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| InChIKey |
QANVOLPERNMINB-NJGYIYPDSA-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