ethyl 3-ethanoylsulfanyl-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]-5-phenyl-pentanoate

Systemtic Name: ethyl 3-ethanoylsulfanyl-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]-5-phenyl-pentanoate Openeye Name: ethyl 3-acetylsulfanyl-2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]methyl]-5-phenyl-pentanoate CAS Name: 3-(acetylthio)-2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]methyl]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 3-acetylsulfanyl-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]-5-phenylpentanoate Traditional Name: 3-(acetylthio)-2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]methyl]-5-phenyl-valeric acid ethyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=C(C=C1)NC(=O)OC(C)(C)C)C(CCC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CN=C(C=C1)NC(=O)OC(C)(C)C)C(CCC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C26H34N2O5S/c1-6-32-24(30)21(22(34-18(2)29)14-12-19-10-8-7-9-11-19)16-20-13-15-23(27-17-20)28-25(31)33-26(3,4)5/h7-11,13,15,17,21-22H,6,12,14,16H2,1-5H3,(H,27,28,31)