3-[2-(7-azanyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoylamino]propanoic acid

Systemtic Name: 3-[2-(7-azanyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(7-amino-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]propanoic acid CAS Name: 3-[[2-(7-amino-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(7-amino-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(7-amino-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]propionic acid Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)N)C(=O)N1CC(=O)NCCC(=O)O

Isomeric SMILES

C1COC2=C(C=C(C=C2)N)C(=O)N1CC(=O)NCCC(=O)O

InChI

InChI=1S/C14H17N3O5/c15-9-1-2-11-10(7-9)14(21)17(5-6-22-11)8-12(18)16-4-3-13(19)20/h1-2,7H,3-6,8,15H2,(H,16,18)(H,19,20)