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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanyl-pentanoyl)amino]-2-phenyl-ethanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanyl-pentanoyl)amino]-2-phenyl-acetyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-1-oxopentyl)amino]-1-oxo-2-phenylethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanylpentanoyl)amino]-2-phenylacetyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-pentanoyl)amino]-2-phenyl-acetyl]amino]propionic acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/C23H28N2O5S/c1-3-14(2)20(31)22(28)25-19(16-7-5-4-6-8-16)21(27)24-18(23(29)30)13-15-9-11-17(26)12-10-15/h4-12,14,18-20,26,31H,3,13H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)