2-(ethanoylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-4-phenyl-butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-4-phenyl-butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[6-(tert-butoxycarbonylamino)-3-pyridyl]-4-phenyl-butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]-4-phenylbutanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-4-phenylbutanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-[6-(tert-butoxycarbonylamino)-3-pyridyl]-4-phenyl-butyric acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(CC1=CC=CC=C1)C2=CN=C(C=C2)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)SCC(C(CC1=CC=CC=C1)C2=CN=C(C=C2)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C23H28N2O5S/c1-15(26)31-14-19(21(27)28)18(12-16-8-6-5-7-9-16)17-10-11-20(24-13-17)25-22(29)30-23(2,3)4/h5-11,13,18-19H,12,14H2,1-4H3,(H,27,28)(H,24,25,29)