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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-3-phenyl-1,4-thiazepan-6-yl]amino]-4-thiophen-2-yl-butanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-(2-thienyl)butanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-thiophen-2-ylbutanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-thiophen-2-ylbutanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-3-phenyl-1,4-thiazepan-6-yl]amino]-4-(2-thienyl)butyric acid Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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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=CC=CS3)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C(CS1)C2=CC=CC=C2)CC(=O)O)NC(CCC3=CC=CS3)C(=O)O

InChI

InChI=1S/C21H24N2O5S2/c24-19(25)11-23-18(14-5-2-1-3-6-14)13-29-12-17(20(23)26)22-16(21(27)28)9-8-15-7-4-10-30-15/h1-7,10,16-18,22H,8-9,11-13H2,(H,24,25)(H,27,28)