3-(4-hydroxyphenyl)-2-[[5-methyl-2-(phenylmethyl)-3-sulfanyl-hexanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[5-methyl-2-(phenylmethyl)-3-sulfanyl-hexanoyl]amino]propanoic acid Openeye Name: 2-[(2-benzyl-5-methyl-3-sulfanyl-hexanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[3-mercapto-5-methyl-1-oxo-2-(phenylmethyl)hexyl]amino]propanoic acid IUPAC Name: 2-[(2-benzyl-5-methyl-3-sulfanylhexanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-5-methyl-hexanoyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C23H29NO4S MolecularWeight: 415.54566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S

Isomeric SMILES

CC(C)CC(C(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S

InChI

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