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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[2-phenyl-2-[(2-phenyl-2-sulfanyl-ethanoyl)amino]ethanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[2-phenyl-2-[(2-phenyl-2-sulfanyl-acetyl)amino]acetyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-1-oxo-2-phenylethyl)amino]-1-oxo-2-phenylethyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[2-phenyl-2-[(2-phenyl-2-sulfanylacetyl)amino]acetyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-2-phenyl-acetyl)amino]-2-phenyl-acetyl]amino]propionic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(C3=CC=CC=C3)S

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(C3=CC=CC=C3)S

InChI

InChI=1S/C25H24N2O5S/c28-19-13-11-16(12-14-19)15-20(25(31)32)26-23(29)21(17-7-3-1-4-8-17)27-24(30)22(33)18-9-5-2-6-10-18/h1-14,20-22,28,33H,15H2,(H,26,29)(H,27,30)(H,31,32)