tert-butyl 3-(4-methoxyphenyl)-2-[2-(3-oxidanylidene-2-sulfanyl-butan-2-yl)octanoylamino]propanoate

Systemtic Name: tert-butyl 3-(4-methoxyphenyl)-2-[2-(3-oxidanylidene-2-sulfanyl-butan-2-yl)octanoylamino]propanoate Openeye Name: tert-butyl 3-(4-methoxyphenyl)-2-[2-(1-methyl-2-oxo-1-sulfanyl-propyl)octanoylamino]propanoate CAS Name: 2-[[2-(2-mercapto-3-oxobutan-2-yl)-1-oxooctyl]amino]-3-(4-methoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-methoxyphenyl)-2-[2-(3-oxo-2-sulfanylbutan-2-yl)octanoylamino]propanoate Traditional Name: 2-[2-(2-keto-1-mercapto-1-methyl-propyl)octanoylamino]-3-(4-methoxyphenyl)propionic acid tert-butyl ester Formula: C26H41NO5S MolecularWeight: 479.67244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)OC(C)(C)C)C(C)(C(=O)C)S

Isomeric SMILES

CCCCCCC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)OC(C)(C)C)C(C)(C(=O)C)S

InChI

InChI=1S/C26H41NO5S/c1-8-9-10-11-12-21(26(6,33)18(2)28)23(29)27-22(24(30)32-25(3,4)5)17-19-13-15-20(31-7)16-14-19/h13-16,21-22,33H,8-12,17H2,1-7H3,(H,27,29)