ethyl 2-[[2-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: ethyl 2-[[2-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl 2-[[2-[(2-acetylsulfanyl-3-methyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-[[2-(acetylthio)-3-methyl-1-oxobutyl]amino]-2-methyl-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-acetylsulfanyl-3-methylbutanoyl)amino]-2-methylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-[[2-(acetylthio)-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C)(C)NC(=O)C(C(C)C)SC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C)(C)NC(=O)C(C(C)C)SC(=O)C

InChI

InChI=1S/C22H32N2O6S/c1-7-30-20(28)17(12-15-8-10-16(26)11-9-15)23-21(29)22(5,6)24-19(27)18(13(2)3)31-14(4)25/h8-11,13,17-18,26H,7,12H2,1-6H3,(H,23,29)(H,24,27)