(phenylmethyl) 4-(diethylphosphanylmethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-(diethylphosphanylmethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-4-(diethylphosphanylmethylsulfanyl)-4-oxo-butanoate CAS Name: 4-(diethylphosphinomethylthio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(diethylphosphanylmethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(diethylphosphinomethylthio)-4-keto-butyric acid benzyl ester Formula: C21H32NO5PS MolecularWeight: 441.521241

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Descriptors Computed from Structure

Canonical SMILES:

CCP(CC)CSC(=O)CC(C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCP(CC)CSC(=O)CC(C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32NO5PS/c1-6-28(7-2)15-29-18(23)13-17(22-20(25)27-21(3,4)5)19(24)26-14-16-11-9-8-10-12-16/h8-12,17H,6-7,13-15H2,1-5H3,(H,22,25)