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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]butanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]butanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-[(3-methyl-2-sulfanylbutanoyl)amino]butanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]propionic acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-10(2)15(21-18(24)16(27)11(3)4)17(23)20-14(19(25)26)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-16,22,27H,9H2,1-4H3,(H,20,23)(H,21,24)(H,25,26)