J9Z

(2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate

Created:2009-08-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge-2
Atom Count42
Chiral Atom Count1
Bond Count44
Aromatic Bond Count16
2D diagram of J9Z

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Chemical Component Summary

Name(2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate
Systematic Name (OpenEye OEToolkits)[(2R)-2-(1-benzothiophen-2-ylcarbonylamino)-3-phenyl-propyl] phosphate
FormulaC18 H16 N O5 P S
Molecular Weight389.362
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02[O-]P([O-])(=O)OCC(NC(=O)c2sc1ccccc1c2)Cc3ccccc3
SMILESCACTVS3.352[O-][P]([O-])(=O)OC[CH](Cc1ccccc1)NC(=O)c2sc3ccccc3c2
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CC(COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2
Canonical SMILESCACTVS3.352 [O-][P]([O-])(=O)OC[C@@H](Cc1ccccc1)NC(=O)c2sc3ccccc3c2
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc(cc1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2
InChIInChI1.03 InChI=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
InChIKeyInChI1.03 SXNKHSLGMRZBAC-OAHLLOKOSA-L

Related Resource References

Resource NameReference
PubChem 49867169