3-(4-hydroxyphenyl)-2-[[5-phenyl-2-(phenylmethyl)-3-sulfanyl-pentanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[5-phenyl-2-(phenylmethyl)-3-sulfanyl-pentanoyl]amino]propanoic acid Openeye Name: 2-[(2-benzyl-5-phenyl-3-sulfanyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[3-mercapto-1-oxo-5-phenyl-2-(phenylmethyl)pentyl]amino]propanoic acid IUPAC Name: 2-[(2-benzyl-5-phenyl-3-sulfanylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-5-phenyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)S

InChI

InChI=1S/C27H29NO4S/c29-22-14-11-21(12-15-22)18-24(27(31)32)28-26(30)23(17-20-9-5-2-6-10-20)25(33)16-13-19-7-3-1-4-8-19/h1-12,14-15,23-25,29,33H,13,16-18H2,(H,28,30)(H,31,32)