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

Systemtic Name: 6-(dibutylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoic acid Openeye Name: 6-(dibutylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid CAS Name: 6-(dibutylamino)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]hexanoic acid IUPAC Name: 6-(dibutylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Traditional Name: 6-(dibutylamino)-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Formula: C25H39N3O5S MolecularWeight: 493.65926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCCC(C(=O)O)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CCCCN(CCCC)CCCCC(C(=O)O)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C25H39N3O5S/c1-3-5-15-27(16-6-4-2)17-10-9-11-20(25(31)32)26-33-24(30)19-28-21-12-7-8-13-22(21)34-18-14-23(28)29/h7-8,12-13,20,26H,3-6,9-11,14-19H2,1-2H3,(H,31,32)