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J9Z

Summary
Name:(2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate
Formula:C18 H16 N O5 P S
Formal charge:-2
Formula weight:389.362 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02(2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate
OpenEye OEToolkits1.6.1[(2R)-2-(1-benzothiophen-2-ylcarbonylamino)-3-phenyl-propyl] phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02[O-]P([O-])(=O)OCC(NC(=O)c2sc1ccccc1c2)Cc3ccccc3
SMILES_CANONICALCACTVS3.352[O-][P]([O-])(=O)OC[C@@H](Cc1ccccc1)NC(=O)c2sc3ccccc3c2
SMILESCACTVS3.352[O-][P]([O-])(=O)OC[CH](Cc1ccccc1)NC(=O)c2sc3ccccc3c2
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CC(COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2
InChIInChI1.03InChI=1S/C18H18NO5PS/c20-18(17-11-14-8-4-5-9-16(14)26-17)19-15(12-24-25(21,22)23)10-13-6-2-1-3-7-13/h1-9,11,15H,10,12H2,(H,19,20)(H2,21,22,23)/p-2/t15-/m1/s1
InChIKeyInChI1.03SXNKHSLGMRZBAC-OAHLLOKOSA-L

218500

PDB entries from 2024-04-17

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