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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-[(4-phenyl-2-sulfanyl-butanoyl)amino]butanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-[(4-phenyl-2-sulfanyl-butanoyl)amino]butanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-1-oxo-4-phenylbutyl)amino]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-[(4-phenyl-2-sulfanylbutanoyl)amino]butanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-4-phenyl-butanoyl)amino]-3-methyl-butanoyl]amino]propionic acid Formula: C24H30N2O5S MolecularWeight: 458.5704

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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(CCC2=CC=CC=C2)S

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCC2=CC=CC=C2)S

InChI

InChI=1S/C24H30N2O5S/c1-15(2)21(26-22(28)20(32)13-10-16-6-4-3-5-7-16)23(29)25-19(24(30)31)14-17-8-11-18(27)12-9-17/h3-9,11-12,15,19-21,27,32H,10,13-14H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)