General Information of the Compound
| Compound ID |
CP0283790
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| Compound Name |
2-(3-Amino-2-oxo-4-phenyl-butyl)-succinic acid 4-benzyl ester
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| Structure |
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| Formula |
C21H23NO5
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| Molecular Weight |
369.417
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| Canonical SMILES |
N[C@@H](Cc1ccccc1)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C21H23NO5/c22-18(11-15-7-3-1-4-8-15)19(23)12-17(21(25)26)13-20(24)27-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14,22H2,(H,25,26)/t17-,18-/m0/s1
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| InChIKey |
ZMRMCIYQNRNQDF-ROUUACIJSA-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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