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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CSCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H22N2O5S/c20-15(21)10-19-8-9-25-11-14(16(19)22)18-13(17(23)24)7-6-12-4-2-1-3-5-12/h1-5,13-14,18H,6-11H2,(H,20,21)(H,23,24)