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550

Summary
Name:methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
Formula:C24 H24 N2 O5
Formal charge:0
Formula weight:420.458 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
OpenEye OEToolkits1.5.0methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NO)C1CC1(C(=O)OC)Cc4ccc(OCc2c3ccccc3nc(c2)C)cc4
SMILES_CANONICALCACTVS3.341COC(=O)[C@]1(C[C@@H]1C(=O)NO)Cc2ccc(OCc3cc(C)nc4ccccc34)cc2
SMILESCACTVS3.341COC(=O)[C]1(C[CH]1C(=O)NO)Cc2ccc(OCc3cc(C)nc4ccccc34)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1cc(c2ccccc2n1)COc3ccc(cc3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC
SMILESOpenEye OEToolkits1.5.0Cc1cc(c2ccccc2n1)COc3ccc(cc3)CC4(CC4C(=O)NO)C(=O)OC
InChIInChI1.03InChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1
InChIKeyInChI1.03HJWMYFBKJRVWJY-YKSBVNFPSA-N

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PDB entries from 2024-08-07

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