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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-[(3-phenyl-2-sulfanylpropanoyl)amino]butanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]propionic acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C23H28N2O5S/c1-14(2)20(25-21(27)19(31)13-15-6-4-3-5-7-15)22(28)24-18(23(29)30)12-16-8-10-17(26)11-9-16/h3-11,14,18-20,26,31H,12-13H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)