(2S)-2-[[2-[(4-phenoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[2-[(4-phenoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[2-[(4-phenoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[2-(mercaptomethyl)-1-oxo-3-(4-phenoxyphenyl)propyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-[(4-phenoxyphenyl)methyl]-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(mercaptomethyl)-3-(4-phenoxyphenyl)propanoyl]amino]propionic acid Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OC2=CC=CC=C2)CS

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OC2=CC=CC=C2)CS

InChI

InChI=1S/C19H21NO4S/c1-13(19(22)23)20-18(21)15(12-25)11-14-7-9-17(10-8-14)24-16-5-3-2-4-6-16/h2-10,13,15,25H,11-12H2,1H3,(H,20,21)(H,22,23)/t13-,15?/m0/s1