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Y70

Summary
Name:S-Pomalidomide
Formula:C13 H11 N3 O4
Formal charge:0
Formula weight:273.244 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
OpenEye OEToolkits1.9.24-azanyl-2-[(3S)-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3=O)N
InChIInChI1.03InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1
InChIKeyInChI1.03UVSMNLNDYGZFPF-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.385Nc1cccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12
SMILESCACTVS3.385Nc1cccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O
SMILESOpenEye OEToolkits1.9.2c1cc2c(c(c1)N)C(=O)N(C2=O)C3CCC(=O)NC3=O

218853

PDB entries from 2024-04-24

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