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I1S

Summary
Name:[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
Formula:C16 H18 N O5 P
Formal charge:0
Formula weight:335.292 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
OpenEye OEToolkits1.7.0[(1S)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
SMILES_CANONICALCACTVS3.370O[P](O)(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2
SMILESCACTVS3.370O[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)C[C@@H](NC(=O)OCc2ccccc2)P(=O)(O)O
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CC(NC(=O)OCc2ccccc2)P(=O)(O)O
InChIInChI1.03InChI=1S/C16H18NO5P/c18-16(22-12-14-9-5-2-6-10-14)17-15(23(19,20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,18)(H2,19,20,21)/t15-/m0/s1
InChIKeyInChI1.03VSULGWZITIYPLP-HNNXBMFYSA-N

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PDB entries from 2024-11-13

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