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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-3-phenyl-1,4-thiazepan-6-yl]amino]-4-(1H-imidazol-2-yl)butanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-(1H-imidazol-2-yl)butanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-(1H-imidazol-2-yl)butanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-(1H-imidazol-2-yl)butanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-3-phenyl-1,4-thiazepan-6-yl]amino]-4-(1H-imidazol-2-yl)butyric acid Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C(CS1)C2=CC=CC=C2)CC(=O)O)NC(CCC3=NC=CN3)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C(CS1)C2=CC=CC=C2)CC(=O)O)NC(CCC3=NC=CN3)C(=O)O

InChI

InChI=1S/C20H24N4O5S/c25-18(26)10-24-16(13-4-2-1-3-5-13)12-30-11-15(19(24)27)23-14(20(28)29)6-7-17-21-8-9-22-17/h1-5,8-9,14-16,23H,6-7,10-12H2,(H,21,22)(H,25,26)(H,28,29)