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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=C(C=CC(=C1N)CC(C(=O)O)NC(=O)C(C2=CC=CC=C2)S)O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)C1=C(C=CC(=C1N)CC(C(=O)O)NC(=O)C(C2=CC=CC=C2)S)O)C3=CC=CC=C3

InChI

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