methyl (2R)-3-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2R)-3-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2R)-3-[2-(3-bromophenyl)-2-oxo-ethyl]sulfanyl-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2R)-3-[[2-(3-bromophenyl)-2-oxoethyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-3-[[2-(3-bromophenyl)-2-keto-ethyl]thio]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C17H22BrNO5S MolecularWeight: 432.32928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC(=O)C1=CC(=CC=C1)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSCC(=O)C1=CC(=CC=C1)Br)C(=O)OC

InChI

InChI=1S/C17H22BrNO5S/c1-17(2,3)24-16(22)19-13(15(21)23-4)9-25-10-14(20)11-6-5-7-12(18)8-11/h5-8,13H,9-10H2,1-4H3,(H,19,22)/t13-/m0/s1