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

Systemtic Name: 2-[[4-(carboxymethyl)-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[4-(carboxymethyl)-2-(2-naphthyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[4-(carboxymethyl)-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-2-naphthalen-2-yl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-(2-naphthyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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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)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1C(SCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H28N2O5S/c30-25(31)16-29-15-24(21-12-11-19-8-4-5-9-20(19)14-21)35-17-23(26(29)32)28-22(27(33)34)13-10-18-6-2-1-3-7-18/h1-9,11-12,14,22-24,28H,10,13,15-17H2,(H,30,31)(H,33,34)