2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C22H25NO5S/c1-14(17-6-4-3-5-7-17)19(13-29-15(2)24)21(26)23-20(22(27)28)12-16-8-10-18(25)11-9-16/h3-11,14,19-20,25H,12-13H2,1-2H3,(H,23,26)(H,27,28)