2-ethanoylsulfanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-ethanoylsulfanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-acetylsulfanyl-3-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid CAS Name: 2-(acetylthio)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-acetylsulfanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-(acetylthio)-3-(tert-butoxycarbonylamino)-3-phenyl-propionic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C(C1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)SC(C(C1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H21NO5S/c1-10(18)23-13(14(19)20)12(11-8-6-5-7-9-11)17-15(21)22-16(2,3)4/h5-9,12-13H,1-4H3,(H,17,21)(H,19,20)