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SH4

Summary
Name:(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE
Synonyms:(1S)-1PHENYLETHYL [4-(ACETYLAMINO) BENZYL] PHOSPHATE
Formula:C17 H19 N O4 P
Formal charge:-1
Formula weight:332.311 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1S)-1-phenylethyl [4-(acetylamino)benzyl]phosphonate
OpenEye OEToolkits1.5.0(4-acetamidophenyl)methyl-[(1S)-1-phenylethoxy]phosphinate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc1ccc(cc1)CP([O-])(=O)OC(c2ccccc2)C)C
InChIInChI1.03InChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1
InChIKeyInChI1.03YPTMOJMDCPUCJT-ZDUSSCGKSA-M
SMILES_CANONICALCACTVS3.385C[C@H](O[P]([O-])(=O)Cc1ccc(NC(C)=O)cc1)c2ccccc2
SMILESCACTVS3.385C[CH](O[P]([O-])(=O)Cc1ccc(NC(C)=O)cc1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.5C[C@@H](c1ccccc1)OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-]
SMILESOpenEye OEToolkits1.7.5CC(c1ccccc1)OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-]

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數據於2024-07-17公開中

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