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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-2-methyl-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[2-methyl-2-[(3-methyl-2-sulfanylbutanoyl)amino]propanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-butanoyl)amino]-2-methyl-propanoyl]amino]propionic acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-10(2)14(26)15(22)20-18(3,4)17(25)19-13(16(23)24)9-11-5-7-12(21)8-6-11/h5-8,10,13-14,21,26H,9H2,1-4H3,(H,19,25)(H,20,22)(H,23,24)