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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(5-phenyl-2-propan-2-yl-3-sulfanyl-pentanoyl)amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[(2-isopropyl-5-phenyl-3-sulfanyl-pentanoyl)amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[(3-mercapto-1-oxo-5-phenyl-2-propan-2-ylpentyl)amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[(5-phenyl-2-propan-2-yl-3-sulfanylpentanoyl)amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[(2-isopropyl-3-mercapto-5-phenyl-pentanoyl)amino]propionic acid Formula: C23H29NO4S MolecularWeight: 415.54566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(CCC1=CC=CC=C1)S)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(C)C(C(CCC1=CC=CC=C1)S)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C23H29NO4S/c1-15(2)21(20(29)13-10-16-6-4-3-5-7-16)22(26)24-19(23(27)28)14-17-8-11-18(25)12-9-17/h3-9,11-12,15,19-21,25,29H,10,13-14H2,1-2H3,(H,24,26)(H,27,28)