3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanyl-butanoyl)amino]-2-phenyl-ethanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanyl-butanoyl)amino]-2-phenyl-ethanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanyl-butanoyl)amino]-2-phenyl-acetyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-1-oxo-2-phenylethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanylbutanoyl)amino]-2-phenylacetyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-butanoyl)amino]-2-phenyl-acetyl]amino]propionic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-13(2)19(30)21(27)24-18(15-6-4-3-5-7-15)20(26)23-17(22(28)29)12-14-8-10-16(25)11-9-14/h3-11,13,17-19,25,30H,12H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)