tert-butyl (2R)-3-(2-acetyloxyphenyl)carbonylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: tert-butyl (2R)-3-(2-acetyloxyphenyl)carbonylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: tert-butyl (2R)-3-(2-acetoxybenzoyl)sulfanyl-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2R)-3-[[(2-acetyloxyphenyl)-oxomethyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-3-(2-acetyloxybenzoyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-3-[(2-acetoxybenzoyl)thio]-2-(tert-butoxycarbonylamino)propionic acid tert-butyl ester Formula: C21H29NO7S MolecularWeight: 439.52246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)SCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)SC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO7S/c1-13(23)27-16-11-9-8-10-14(16)18(25)30-12-15(17(24)28-20(2,3)4)22-19(26)29-21(5,6)7/h8-11,15H,12H2,1-7H3,(H,22,26)/t15-/m0/s1