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

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[6-(tert-butoxycarbonylamino)-3-pyridyl]-3-phenyl-propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]-3-phenylpropanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-3-phenylpropanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-[6-(tert-butoxycarbonylamino)-3-pyridyl]-3-phenyl-propionic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-14(25)30-13-17(20(26)27)19(15-8-6-5-7-9-15)16-10-11-18(23-12-16)24-21(28)29-22(2,3)4/h5-12,17,19H,13H2,1-4H3,(H,26,27)(H,23,24,28)