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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[3-phenyl-2-[(2-phenyl-2-sulfanyl-ethanoyl)amino]butanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[3-phenyl-2-[(2-phenyl-2-sulfanyl-acetyl)amino]butanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-1-oxo-2-phenylethyl)amino]-1-oxo-3-phenylbutyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[3-phenyl-2-[(2-phenyl-2-sulfanylacetyl)amino]butanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-2-phenyl-acetyl)amino]-3-phenyl-butanoyl]amino]propionic acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C1=CC=CC=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/C27H28N2O5S/c1-17(19-8-4-2-5-9-19)23(29-26(32)24(35)20-10-6-3-7-11-20)25(31)28-22(27(33)34)16-18-12-14-21(30)15-13-18/h2-15,17,22-24,30,35H,16H2,1H3,(H,28,31)(H,29,32)(H,33,34)