General Information of the Compound
| Compound ID |
CP0078426
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| Compound Name |
2-(3-Amino-4-methyl-2-oxo-pentyl)-succinic acid 4-benzyl ester
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| Structure |
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| Formula |
C17H23NO5
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| Molecular Weight |
321.373
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C17H23NO5/c1-11(2)16(18)14(19)8-13(17(21)22)9-15(20)23-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10,18H2,1-2H3,(H,21,22)/t13-,16-/m0/s1
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| InChIKey |
KNTOMWAINXYWSM-BBRMVZONSA-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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