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

Systemtic Name: 2-[[5-azanyl-1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid Openeye Name: 2-[[5-amino-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid CAS Name: 2-[[5-amino-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid IUPAC Name: 2-[[5-amino-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid Traditional Name: 2-[[5-amino-1-(carboxymethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)N

Isomeric SMILES

CCCCC(C(=O)O)NC1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)N

InChI

InChI=1S/C18H25N3O5/c1-2-3-7-13(18(25)26)20-14-9-12(19)11-6-4-5-8-15(11)21(17(14)24)10-16(22)23/h4-6,8,12-14,20H,2-3,7,9-10,19H2,1H3,(H,22,23)(H,25,26)