6-(dimethylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoic acid

Systemtic Name: 6-(dimethylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoic acid Openeye Name: 6-(dimethylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid CAS Name: 6-(dimethylamino)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]hexanoic acid IUPAC Name: 6-(dimethylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Traditional Name: 6-(dimethylamino)-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Formula: C19H27N3O5S MolecularWeight: 409.49978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCC(C(=O)O)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CN(C)CCCCC(C(=O)O)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C19H27N3O5S/c1-21(2)11-6-5-7-14(19(25)26)20-27-18(24)13-22-15-8-3-4-9-16(15)28-12-10-17(22)23/h3-4,8-9,14,20H,5-7,10-13H2,1-2H3,(H,25,26)