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DVO

Summary
Name:2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Formula:C15 H12 N2 O6
Formal charge:0
Formula weight:316.266 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
OpenEye OEToolkits2.0.72-[(3~{R})-3-methyl-2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C1(C)CCC(=O)NC1=O
InChIInChI1.03InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)/t15-/m1/s1
InChIKeyInChI1.03VWVJRXADTDRXRW-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385C[C@]1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(O)=O
SMILESCACTVS3.385C[C]1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@]1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(=O)O
SMILESOpenEye OEToolkits2.0.7CC1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(=O)O

222415

건을2024-07-10부터공개중

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