tert-butyl (2S)-4-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenoxycarbothioyloxy-butanoate

Systemtic Name: tert-butyl (2S)-4-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenoxycarbothioyloxy-butanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-4-dimethoxyphosphoryl-4-phenoxycarbothioyloxy-butanoate CAS Name: (2S)-4-dimethoxyphosphoryl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[phenoxy(sulfanylidene)methoxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenoxycarbothioyloxybutanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-dimethoxyphosphoryl-4-phenoxycarbothioyloxy-butyric acid tert-butyl ester Formula: C22H34NO9PS MolecularWeight: 519.545421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(OC(=S)OC1=CC=CC=C1)P(=O)(OC)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC(OC(=S)OC1=CC=CC=C1)P(=O)(OC)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H34NO9PS/c1-21(2,3)31-18(24)16(23-19(25)32-22(4,5)6)14-17(33(26,27-7)28-8)30-20(34)29-15-12-10-9-11-13-15/h9-13,16-17H,14H2,1-8H3,(H,23,25)/t16-,17?/m0/s1