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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1C(SCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5S/c27-22(28)15-26-14-19(13-18-9-5-2-6-10-18)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)