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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-3-(phenylmethyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[3-benzyl-4-(carboxymethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-3-(phenylmethyl)-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[3-benzyl-4-(carboxymethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[3-benzyl-4-(carboxymethyl)-5-keto-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid Formula: C24H28N2O5S MolecularWeight: 456.55452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)C(CS1)NC(CCC2=CC=CC=C2)C(=O)O)CC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1C(N(C(=O)C(CS1)NC(CCC2=CC=CC=C2)C(=O)O)CC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5S/c27-22(28)14-26-19(13-18-9-5-2-6-10-18)15-32-16-21(23(26)29)25-20(24(30)31)12-11-17-7-3-1-4-8-17/h1-10,19-21,25H,11-16H2,(H,27,28)(H,30,31)