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TGN

Summary
Name:3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
Formula:C16 H22 N O5 P
Formal charge:0
Formula weight:339.323 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04methyl (1R,2R,3S,5S)-3-{[(S)-hydroxy(phenyl)phosphoryl]oxy}-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
OpenEye OEToolkits1.5.0[(1R,2R,3S,5S,8S)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenyl-phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC)C3C1N(C)C(CC1)CC3OP(=O)(O)c2ccccc2
SMILES_CANONICALCACTVS3.341COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)O[P@](O)(=O)c3ccccc3
SMILESCACTVS3.341COC(=O)[CH]1[CH](C[CH]2CC[CH]1N2C)O[P](O)(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O[P@](=O)(c3ccccc3)O)C(=O)OC
SMILESOpenEye OEToolkits1.5.0CN1C2CCC1C(C(C2)OP(=O)(c3ccccc3)O)C(=O)OC
InChIInChI1.03InChI=1S/C16H22NO5P/c1-17-11-8-9-13(17)15(16(18)21-2)14(10-11)22-23(19,20)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3,(H,19,20)/t11-,13+,14-,15+/m0/s1
InChIKeyInChI1.03WJTKWTJTOSZMKO-PMOUVXMZSA-N

226707

PDB entries from 2024-10-30

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