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TJ5

Summary
Name:(2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
Formula:C18 H17 N O4
Formal charge:0
Formula weight:311.332 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H17NO4/c20-17(21)16-10-15(11-19-16)23-18(22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,20,21)/t15-,16-/m0/s1
InChIKeyInChI1.03GCIZCIZLSHSWDS-HOTGVXAUSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@@H]1C[C@@H](CN1)OC(=O)c2ccc(cc2)c3ccccc3
SMILESCACTVS3.385OC(=O)[CH]1C[CH](CN1)OC(=O)c2ccc(cc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc(cc2)C(=O)O[C@H]3C[C@H](NC3)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O

222415

數據於2024-07-10公開中

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