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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanyl-butanoyl)amino]-3-phenylmethoxy-butanoyl]amino]propanoic acid Openeye Name: 2-[[3-benzyloxy-2-[(3-methyl-2-sulfanyl-butanoyl)amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylmethoxybutyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanylbutanoyl)amino]-3-phenylmethoxybutanoyl]amino]propanoic acid Traditional Name: 2-[[3-benzoxy-2-[(2-mercapto-3-methyl-butanoyl)amino]butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S

InChI

InChI=1S/C25H32N2O6S/c1-15(2)22(34)24(30)27-21(16(3)33-14-18-7-5-4-6-8-18)23(29)26-20(25(31)32)13-17-9-11-19(28)12-10-17/h4-12,15-16,20-22,28,34H,13-14H2,1-3H3,(H,26,29)(H,27,30)(H,31,32)