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X97

Summary
Name:3-{4-oxo-4-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione
Formula:C28 H32 N4 O4
Formal charge:0
Formula weight:488.578 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{4-oxo-4-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione
OpenEye OEToolkits1.7.03-[4-oxo-4-[(2S)-2-pyrrolidin-1-ylcarbonylpyrrolidin-1-yl]butyl]-5,5-diphenyl-imidazolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCCC1)C5N(C(=O)CCCN4C(=O)C(c2ccccc2)(c3ccccc3)NC4=O)CCC5
SMILES_CANONICALCACTVS3.370O=C(CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3)N4CCC[C@H]4C(=O)N5CCCC5
SMILESCACTVS3.370O=C(CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3)N4CCC[CH]4C(=O)N5CCCC5
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCC[C@H]3C(=O)N4CCCC4)c5ccccc5
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCCC3C(=O)N4CCCC4)c5ccccc5
InChIInChI1.03InChI=1S/C28H32N4O4/c33-24(31-19-9-15-23(31)25(34)30-17-7-8-18-30)16-10-20-32-26(35)28(29-27(32)36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23H,7-10,15-20H2,(H,29,36)/t23-/m0/s1
InChIKeyInChI1.03PHYVMRFCTLZIHY-QHCPKHFHSA-N

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건을2024-07-24부터공개중

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