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

Systemtic Name: (2S)-6-azanyl-2-[2-(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)ethanoyloxyamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetyl]oxyamino]hexanoic acid CAS Name: (2S)-6-amino-2-[[1-oxo-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)ethoxy]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetyl]oxyamino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[2-(2-keto-4,5-dihydro-3H-1-benzazepin-1-yl)acetyl]oxyamino]hexanoic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1)CC(=O)ONC(CCCCN)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1)CC(=O)ON[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C18H25N3O5/c19-11-4-3-8-14(18(24)25)20-26-17(23)12-21-15-9-2-1-6-13(15)7-5-10-16(21)22/h1-2,6,9,14,20H,3-5,7-8,10-12,19H2,(H,24,25)/t14-/m0/s1