O-[(1S,2S)-1-diethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl] imidazole-1-carbothioate

Systemtic Name: O-[(1S,2S)-1-diethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl] imidazole-1-carbothioate Openeye Name: O-[(1S,2S)-2-(tert-butoxycarbonylamino)-1-diethoxyphosphoryl-3-phenyl-propyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[(1S,2S)-1-diethoxyphosphoryl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl] ester IUPAC Name: O-[(1S,2S)-1-diethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[(1S,2S)-2-(tert-butoxycarbonylamino)-1-diethoxyphosphoryl-3-phenyl-propyl] ester Formula: C22H32N3O6PS MolecularWeight: 497.544741

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)OC(=S)N2C=CN=C2)OCC

Isomeric SMILES

CCOP(=O)([C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)OC(=S)N2C=CN=C2)OCC

InChI

InChI=1S/C22H32N3O6PS/c1-6-28-32(27,29-7-2)19(30-21(33)25-14-13-23-16-25)18(15-17-11-9-8-10-12-17)24-20(26)31-22(3,4)5/h8-14,16,18-19H,6-7,15H2,1-5H3,(H,24,26)/t18-,19-/m0/s1