[2-[(2S)-2-(2-naphthalen-2-ylethylcarbamoyl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethylphosphonic acid

Systemtic Name: [2-[(2S)-2-(2-naphthalen-2-ylethylcarbamoyl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethylphosphonic acid Openeye Name: [2-[(2S)-2-[2-(2-naphthyl)ethylcarbamoyl]-1-piperidyl]-2-oxo-ethyl]sulfanylmethylphosphonic acid CAS Name: [[2-[(2S)-2-[[2-(2-naphthalenyl)ethylamino]-oxomethyl]-1-piperidinyl]-2-oxoethyl]thio]methylphosphonic acid IUPAC Name: [2-[(2S)-2-(2-naphthalen-2-ylethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]sulfanylmethylphosphonic acid Traditional Name: [[2-keto-2-[(2S)-2-[2-(2-naphthyl)ethylcarbamoyl]piperidino]ethyl]thio]methylphosphonic acid Formula: C21H27N2O5PS MolecularWeight: 450.488241

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NCCC2=CC3=CC=CC=C3C=C2)C(=O)CSCP(=O)(O)O

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)NCCC2=CC3=CC=CC=C3C=C2)C(=O)CSCP(=O)(O)O

InChI

InChI=1S/C21H27N2O5PS/c24-20(14-30-15-29(26,27)28)23-12-4-3-7-19(23)21(25)22-11-10-16-8-9-17-5-1-2-6-18(17)13-16/h1-2,5-6,8-9,13,19H,3-4,7,10-12,14-15H2,(H,22,25)(H2,26,27,28)/t19-/m0/s1