6-azanyl-2-[[1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrobromide

Systemtic Name: 6-azanyl-2-[[1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrobromide Openeye Name: 6-amino-2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrobromide CAS Name: 6-amino-2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrobromide IUPAC Name: 6-amino-2-[[1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrobromide Traditional Name: 6-amino-2-[[1-(carboxymethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid hydrobromide Formula: C18H26BrN3O5 MolecularWeight: 444.32014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NC(CCCCN)C(=O)O)CC(=O)O.Br

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1NC(CCCCN)C(=O)O)CC(=O)O.Br

InChI

InChI=1S/C18H25N3O5.BrH/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23;/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26);1H