2-[[2-[(7-azanyl-1,2,5-dithiazocan-4-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[2-[(7-azanyl-1,2,5-dithiazocan-4-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid Openeye Name: 2-[[2-(7-amino-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid CAS Name: 2-[[[2-[(7-amino-1,2,5-dithiazocan-4-yl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[[2-(7-amino-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Traditional Name: 2-[[2-(7-amino-1,2,5-dithiazocane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Formula: C22H32N4O4S2 MolecularWeight: 480.64388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3CSSCC(CN3)N

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3CSSCC(CN3)N

InChI

InChI=1S/C22H32N4O4S2/c1-2-3-8-17(22(29)30)25-20(27)19-9-14-6-4-5-7-15(14)11-26(19)21(28)18-13-32-31-12-16(23)10-24-18/h4-7,16-19,24H,2-3,8-13,23H2,1H3,(H,25,27)(H,29,30)