2-[[4-(carboxymethyl)-5-oxidanylidene-3-phenyl-1,4-thiazepan-6-yl]amino]-3-phenoxy-propanoic acid

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-3-phenyl-1,4-thiazepan-6-yl]amino]-3-phenoxy-propanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-3-phenoxy-propanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-3-phenoxypropanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-3-phenoxypropanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-3-phenyl-1,4-thiazepan-6-yl]amino]-3-phenoxy-propionic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C(CS1)C2=CC=CC=C2)CC(=O)O)NC(COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C(CS1)C2=CC=CC=C2)CC(=O)O)NC(COC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H24N2O6S/c25-20(26)11-24-19(15-7-3-1-4-8-15)14-31-13-18(21(24)27)23-17(22(28)29)12-30-16-9-5-2-6-10-16/h1-10,17-19,23H,11-14H2,(H,25,26)(H,28,29)