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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-3-phenyl-1,4-thiazepan-6-yl]amino]-4-naphthalen-2-yl-butanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-(2-naphthyl)butanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-(2-naphthalenyl)butanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-naphthalen-2-ylbutanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-3-phenyl-1,4-thiazepan-6-yl]amino]-4-(2-naphthyl)butyric acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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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=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C(CS1)C2=CC=CC=C2)CC(=O)O)NC(CCC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

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