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

Systemtic Name: 2-[[4-(carboxymethyl)-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-cyclohexyl-butanoic acid Openeye Name: 2-[[4-(carboxymethyl)-2-(1-naphthyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-cyclohexyl-butanoic acid CAS Name: 2-[[4-(carboxymethyl)-2-(1-naphthalenyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-cyclohexylbutanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-2-naphthalen-1-yl-5-oxo-1,4-thiazepan-6-yl]amino]-4-cyclohexylbutanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-(1-naphthyl)-1,4-thiazepan-6-yl]amino]-4-cyclohexyl-butyric acid Formula: C27H34N2O5S MolecularWeight: 498.63426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(C(=O)O)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)CCC(C(=O)O)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H34N2O5S/c30-25(31)16-29-15-24(21-12-6-10-19-9-4-5-11-20(19)21)35-17-23(26(29)32)28-22(27(33)34)14-13-18-7-2-1-3-8-18/h4-6,9-12,18,22-24,28H,1-3,7-8,13-17H2,(H,30,31)(H,33,34)