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

Systemtic Name: 2-[[4-(carboxymethyl)-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-6-yl]amino]decanoic acid Openeye Name: 2-[[4-(carboxymethyl)-2-(1-naphthyl)-5-oxo-1,4-thiazepan-6-yl]amino]decanoic acid CAS Name: 2-[[4-(carboxymethyl)-2-(1-naphthalenyl)-5-oxo-1,4-thiazepan-6-yl]amino]decanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-2-naphthalen-1-yl-5-oxo-1,4-thiazepan-6-yl]amino]decanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-(1-naphthyl)-1,4-thiazepan-6-yl]amino]capric acid Formula: C27H36N2O5S MolecularWeight: 500.65014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)NC1CSC(CN(C1=O)CC(=O)O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCC(C(=O)O)NC1CSC(CN(C1=O)CC(=O)O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C27H36N2O5S/c1-2-3-4-5-6-7-15-22(27(33)34)28-23-18-35-24(16-29(26(23)32)17-25(30)31)21-14-10-12-19-11-8-9-13-20(19)21/h8-14,22-24,28H,2-7,15-18H2,1H3,(H,30,31)(H,33,34)