[2-oxidanylidene-2-[(2S)-2-(3-phenylpropylcarbamoyl)piperidin-1-yl]ethyl]sulfanylmethylphosphonic acid

Systemtic Name: [2-oxidanylidene-2-[(2S)-2-(3-phenylpropylcarbamoyl)piperidin-1-yl]ethyl]sulfanylmethylphosphonic acid Openeye Name: [2-oxo-2-[(2S)-2-(3-phenylpropylcarbamoyl)-1-piperidyl]ethyl]sulfanylmethylphosphonic acid CAS Name: [[2-oxo-2-[(2S)-2-[oxo-(3-phenylpropylamino)methyl]-1-piperidinyl]ethyl]thio]methylphosphonic acid IUPAC Name: [2-oxo-2-[(2S)-2-(3-phenylpropylcarbamoyl)piperidin-1-yl]ethyl]sulfanylmethylphosphonic acid Traditional Name: [[2-keto-2-[(2S)-2-(3-phenylpropylcarbamoyl)piperidino]ethyl]thio]methylphosphonic acid Formula: C18H27N2O5PS MolecularWeight: 414.456141

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NCCCC2=CC=CC=C2)C(=O)CSCP(=O)(O)O

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)NCCCC2=CC=CC=C2)C(=O)CSCP(=O)(O)O

InChI

InChI=1S/C18H27N2O5PS/c21-17(13-27-14-26(23,24)25)20-12-5-4-10-16(20)18(22)19-11-6-9-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2,(H,19,22)(H2,23,24,25)/t16-/m0/s1