3-[2-azanyl-4-oxidanyl-3-(2-phenylethanoyl)phenyl]-2-[(2-phenyl-2-sulfanyl-ethanoyl)amino]propanoic acid

Systemtic Name: 3-[2-azanyl-4-oxidanyl-3-(2-phenylethanoyl)phenyl]-2-[(2-phenyl-2-sulfanyl-ethanoyl)amino]propanoic acid Openeye Name: 3-[2-amino-4-hydroxy-3-(2-phenylacetyl)phenyl]-2-[(2-phenyl-2-sulfanyl-acetyl)amino]propanoic acid CAS Name: 3-[2-amino-4-hydroxy-3-(1-oxo-2-phenylethyl)phenyl]-2-[(2-mercapto-1-oxo-2-phenylethyl)amino]propanoic acid IUPAC Name: 3-[2-amino-4-hydroxy-3-(2-phenylacetyl)phenyl]-2-[(2-phenyl-2-sulfanylacetyl)amino]propanoic acid Traditional Name: 3-[2-amino-4-hydroxy-3-(2-phenylacetyl)phenyl]-2-[(2-mercapto-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)CC(=O)C2=C(C=CC(=C2N)CC(C(=O)O)NC(=O)C(C3=CC=CC=C3)S)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C2=C(C=CC(=C2N)CC(C(=O)O)NC(=O)C(C3=CC=CC=C3)S)O

InChI

InChI=1S/C25H24N2O5S/c26-22-17(11-12-19(28)21(22)20(29)13-15-7-3-1-4-8-15)14-18(25(31)32)27-24(30)23(33)16-9-5-2-6-10-16/h1-12,18,23,28,33H,13-14,26H2,(H,27,30)(H,31,32)