2-(2-azanyl-5-oxidanylidene-3-phenyl-1,4-thiazepan-2-yl)-4-(1H-imidazol-2-yl)butanoic acid

Systemtic Name: 2-(2-azanyl-5-oxidanylidene-3-phenyl-1,4-thiazepan-2-yl)-4-(1H-imidazol-2-yl)butanoic acid Openeye Name: 2-(2-amino-5-oxo-3-phenyl-1,4-thiazepan-2-yl)-4-(1H-imidazol-2-yl)butanoic acid CAS Name: 2-(2-amino-5-oxo-3-phenyl-1,4-thiazepan-2-yl)-4-(1H-imidazol-2-yl)butanoic acid IUPAC Name: 2-(2-amino-5-oxo-3-phenyl-1,4-thiazepan-2-yl)-4-(1H-imidazol-2-yl)butanoic acid Traditional Name: 2-(2-amino-5-keto-3-phenyl-1,4-thiazepan-2-yl)-4-(1H-imidazol-2-yl)butyric acid Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(C(NC1=O)C2=CC=CC=C2)(C(CCC3=NC=CN3)C(=O)O)N

Isomeric SMILES

C1CSC(C(NC1=O)C2=CC=CC=C2)(C(CCC3=NC=CN3)C(=O)O)N

InChI

InChI=1S/C18H22N4O3S/c19-18(13(17(24)25)6-7-14-20-9-10-21-14)16(12-4-2-1-3-5-12)22-15(23)8-11-26-18/h1-5,9-10,13,16H,6-8,11,19H2,(H,20,21)(H,22,23)(H,24,25)