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EF2

Summary
Name:S-Thalidomide
Formula:C13 H10 N2 O4
Formal charge:0
Formula weight:258.229 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
OpenEye OEToolkits1.9.22-[(3S)-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O
InChIInChI1.03InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
InChIKeyInChI1.03UEJJHQNACJXSKW-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1
SMILESCACTVS3.385O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O

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PDB entries from 2024-07-31

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