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

Systemtic Name: 2-[[3-ethoxy-2-[(2-phenyl-2-sulfanyl-ethanoyl)amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[3-ethoxy-2-[(2-phenyl-2-sulfanyl-acetyl)amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[3-ethoxy-2-[(2-mercapto-1-oxo-2-phenylethyl)amino]-1-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[3-ethoxy-2-[(2-phenyl-2-sulfanylacetyl)amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[3-ethoxy-2-[(2-mercapto-2-phenyl-acetyl)amino]butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(C2=CC=CC=C2)S

Isomeric SMILES

CCOC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(C2=CC=CC=C2)S

InChI

InChI=1S/C23H28N2O6S/c1-3-31-14(2)19(25-22(28)20(32)16-7-5-4-6-8-16)21(27)24-18(23(29)30)13-15-9-11-17(26)12-10-15/h4-12,14,18-20,26,32H,3,13H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)