General Information of the Compound
| Compound ID |
CP0720909
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| Compound Name |
(2S,3R,4R)-5-(3,4-dimethylbenzamido)pentane-1,2,3,4-tetrayl tetraacetate
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| Structure |
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| Formula |
C22H29NO9
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| Molecular Weight |
451.472
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| Canonical SMILES |
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CNC(=O)c1ccc(C)c(C)c1)OC(C)=O
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| InChI |
InChI=1S/C22H29NO9/c1-12-7-8-18(9-13(12)2)22(28)23-10-19(30-15(4)25)21(32-17(6)27)20(31-16(5)26)11-29-14(3)24/h7-9,19-21H,10-11H2,1-6H3,(H,23,28)/t19-,20+,21-/m1/s1
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| InChIKey |
MSJLXLUWRZXQEQ-QHAWAJNXSA-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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