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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanyl-pentanoyl)amino]-3-phenylmethoxy-butanoyl]amino]propanoic acid Openeye Name: 2-[[3-benzyloxy-2-[(3-methyl-2-sulfanyl-pentanoyl)amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methyl-1-oxopentyl)amino]-1-oxo-3-phenylmethoxybutyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methyl-2-sulfanylpentanoyl)amino]-3-phenylmethoxybutanoyl]amino]propanoic acid Traditional Name: 2-[[3-benzoxy-2-[(2-mercapto-3-methyl-pentanoyl)amino]butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C26H34N2O6S/c1-4-16(2)23(35)25(31)28-22(17(3)34-15-19-8-6-5-7-9-19)24(30)27-21(26(32)33)14-18-10-12-20(29)13-11-18/h5-13,16-17,21-23,29,35H,4,14-15H2,1-3H3,(H,27,30)(H,28,31)(H,32,33)