General Information of the Compound
| Compound ID |
CP0394969
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| Compound Name |
3-Amino-N-((S)-1-carboxy-ethyl)-succinamic acid (S)-benzyl ester
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| Structure |
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| Formula |
C14H18N2O5
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| Molecular Weight |
294.307
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H](N)CC(=O)OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C14H18N2O5/c1-9(14(19)20)16-13(18)11(15)7-12(17)21-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,18)(H,19,20)/t9-,11-/m0/s1
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| InChIKey |
YGOHRHZYOUUOMN-ONGXEEELSA-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