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

Systemtic Name: 6-(dipropylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoic acid Openeye Name: 6-(dipropylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid CAS Name: 6-(dipropylamino)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]hexanoic acid IUPAC Name: 6-(dipropylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Traditional Name: 6-(dipropylamino)-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCCC(C(=O)O)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CCCN(CCC)CCCCC(C(=O)O)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C23H35N3O5S/c1-3-13-25(14-4-2)15-8-7-9-18(23(29)30)24-31-22(28)17-26-19-10-5-6-11-20(19)32-16-12-21(26)27/h5-6,10-11,18,24H,3-4,7-9,12-17H2,1-2H3,(H,29,30)