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

Systemtic Name: 2-[[4-(carboxymethyl)-3-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[4-(carboxymethyl)-3-(2-naphthyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[4-(carboxymethyl)-3-(2-naphthalenyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-3-naphthalen-2-yl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-3-(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(C(=O)N(C(CS1)C2=CC3=CC=CC=C3C=C2)CC(=O)O)NC(CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C(CS1)C2=CC3=CC=CC=C3C=C2)CC(=O)O)NC(CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H28N2O5S/c30-25(31)15-29-24(21-12-11-19-8-4-5-9-20(19)14-21)17-35-16-23(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)