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DRX

Summary
Name:[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID
Formula:C20 H15 Cl N O4 P S
Formal charge:0
Formula weight:431.829 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid
OpenEye OEToolkits1.5.0[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxo-ethyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc2cc1ccccc1cc2)C(c3c4cc(Cl)ccc4sc3)P(=O)(O)O
SMILES_CANONICALCACTVS3.341O[P](O)(=O)[C@H](C(=O)Nc1ccc2ccccc2c1)c3csc4ccc(Cl)cc34
SMILESCACTVS3.341O[P](O)(=O)[CH](C(=O)Nc1ccc2ccccc2c1)c3csc4ccc(Cl)cc34
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2cc(ccc2c1)NC(=O)[C@H](c3csc4c3cc(cc4)Cl)P(=O)(O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2cc(ccc2c1)NC(=O)C(c3csc4c3cc(cc4)Cl)P(=O)(O)O
InChIInChI1.03InChI=1S/C20H15ClNO4PS/c21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19H,(H,22,23)(H2,24,25,26)/t19-/m0/s1
InChIKeyInChI1.03HUJXISJLAPAFBO-IBGZPJMESA-N

222926

数据于2024-07-24公开中

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