6-azanyl-2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoylamino]hexanoic acid Openeye Name: 6-amino-2-[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propanoylamino]hexanoic acid CAS Name: 6-amino-2-[[2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoylamino]hexanoic acid Traditional Name: 6-amino-2-[2-(naphthionylamino)propanoylamino]hexanoic acid Formula: C21H30N4O5S MolecularWeight: 450.5517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCCN)C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

Isomeric SMILES

CC(C(=O)NC(CCCCN)C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

InChI

InChI=1S/C21H30N4O5S/c1-14(20(26)23-17(21(27)28)10-4-5-13-22)24-31(29,30)19-12-7-8-15-16(19)9-6-11-18(15)25(2)3/h6-9,11-12,14,17,24H,4-5,10,13,22H2,1-3H3,(H,23,26)(H,27,28)