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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[5-phenyl-2-(phenylmethyl)-4-sulfanyl-pentanoyl]amino]propanoic acid Openeye Name: 2-[(2-benzyl-5-phenyl-4-sulfanyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[4-mercapto-1-oxo-5-phenyl-2-(phenylmethyl)pentyl]amino]propanoic acid IUPAC Name: 2-[(2-benzyl-5-phenyl-4-sulfanylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(2-benzyl-4-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)CC(CC(CC2=CC=CC=C2)S)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

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

InChI

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