(phenylmethyl) (3R,4R)-3-(diethoxyphosphorylamino)-4-ethylsulfanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3R,4R)-3-(diethoxyphosphorylamino)-4-ethylsulfanyl-piperidine-1-carboxylate Openeye Name: benzyl (3R,4R)-3-(diethoxyphosphorylamino)-4-ethylsulfanyl-piperidine-1-carboxylate CAS Name: (3R,4R)-3-(diethoxyphosphorylamino)-4-(ethylthio)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,4R)-3-(diethoxyphosphorylamino)-4-ethylsulfanylpiperidine-1-carboxylate Traditional Name: (3R,4R)-3-(diethoxyphosphorylamino)-4-(ethylthio)piperidine-1-carboxylic acid benzyl ester Formula: C19H31N2O5PS MolecularWeight: 430.498601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NC1CN(CCC1SCC)C(=O)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CCOP(=O)(N[C@@H]1CN(CC[C@H]1SCC)C(=O)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C19H31N2O5PS/c1-4-25-27(23,26-5-2)20-17-14-21(13-12-18(17)28-6-3)19(22)24-15-16-10-8-7-9-11-16/h7-11,17-18H,4-6,12-15H2,1-3H3,(H,20,23)/t17-,18-/m1/s1