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2GB

Summary
Name:N-[(S)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-L-glutamic acid
Formula:C18 H20 N O7 P
Formal charge:0
Formula weight:393.328 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(S)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-L-glutamic acid
OpenEye OEToolkits1.9.2(2S)-2-[[oxidanyl-[(4-phenylphenyl)methoxy]phosphoryl]amino]pentanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(NP(=O)(OCc1ccc(cc1)c2ccccc2)O)CCC(=O)O
InChIInChI1.03InChI=1S/C18H20NO7P/c20-17(21)11-10-16(18(22)23)19-27(24,25)26-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H2,19,24,25)/t16-/m0/s1
InChIKeyInChI1.03DATQTWKKBHKLSV-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CC[C@H](N[P](O)(=O)OCc1ccc(cc1)c2ccccc2)C(O)=O
SMILESCACTVS3.385OC(=O)CC[CH](N[P](O)(=O)OCc1ccc(cc1)c2ccccc2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)c2ccc(cc2)COP(=O)(NC(CCC(=O)O)C(=O)O)O

218500

PDB entries from 2024-04-17

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