(2S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoic acid CAS Name: (2S)-3-[(4-methoxyphenyl)methylthio]-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-2-methyl-3-(p-anisylthio)propionic acid Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(CSCC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

C[C@@](CSCC1=CC=C(C=C1)OC)(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H25NO5S/c1-16(2,3)23-15(21)18-17(4,14(19)20)11-24-10-12-6-8-13(22-5)9-7-12/h6-9H,10-11H2,1-5H3,(H,18,21)(H,19,20)/t17-/m1/s1