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

Systemtic Name: 6-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoic acid dihydrobromide Openeye Name: 6-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid dihydrobromide CAS Name: 6-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]hexanoic acid dihydrobromide IUPAC Name: 6-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid dihydrobromide Traditional Name: 6-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid dihydrobromide Formula: C17H25Br2N3O5S MolecularWeight: 543.2705

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCN)C(=O)O.Br.Br

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCN)C(=O)O.Br.Br

InChI

InChI=1S/C17H23N3O5S.2BrH/c18-9-4-3-5-12(17(23)24)19-25-16(22)11-20-13-6-1-2-7-14(13)26-10-8-15(20)21;;/h1-2,6-7,12,19H,3-5,8-11,18H2,(H,23,24);2*1H