(2R)-2-[(4S)-4-azanyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid

Systemtic Name: (2R)-2-[(4S)-4-azanyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid Openeye Name: (2R)-2-[(4S)-4-amino-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid CAS Name: (2R)-2-[(4S)-4-amino-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid IUPAC Name: (2R)-2-[(4S)-4-amino-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid Traditional Name: (2R)-2-[(4S)-4-amino-3-keto-4,5-dihydro-1H-2-benzazepin-2-yl]propionic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CC2=CC=CC=C2CC(C1=O)N

Isomeric SMILES

C[C@H](C(=O)O)N1CC2=CC=CC=C2C[C@@H](C1=O)N

InChI

InChI=1S/C13H16N2O3/c1-8(13(17)18)15-7-10-5-3-2-4-9(10)6-11(14)12(15)16/h2-5,8,11H,6-7,14H2,1H3,(H,17,18)/t8-,11+/m1/s1