10-azanyl-2-[(2-oxidanylidene-6-thiophen-2-yl-azepan-3-yl)amino]decanoic acid

Systemtic Name: 10-azanyl-2-[(2-oxidanylidene-6-thiophen-2-yl-azepan-3-yl)amino]decanoic acid Openeye Name: 10-amino-2-[[2-oxo-6-(2-thienyl)azepan-3-yl]amino]decanoic acid CAS Name: 10-amino-2-[(2-oxo-6-thiophen-2-yl-3-azepanyl)amino]decanoic acid IUPAC Name: 10-amino-2-[(2-oxo-6-thiophen-2-ylazepan-3-yl)amino]decanoic acid Traditional Name: 10-amino-2-[[2-keto-6-(2-thienyl)azepan-3-yl]amino]capric acid Formula: C20H33N3O3S MolecularWeight: 395.55932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NCC1C2=CC=CS2)NC(CCCCCCCCN)C(=O)O

Isomeric SMILES

C1CC(C(=O)NCC1C2=CC=CS2)NC(CCCCCCCCN)C(=O)O

InChI

InChI=1S/C20H33N3O3S/c21-12-6-4-2-1-3-5-8-17(20(25)26)23-16-11-10-15(14-22-19(16)24)18-9-7-13-27-18/h7,9,13,15-17,23H,1-6,8,10-12,14,21H2,(H,22,24)(H,25,26)