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

Systemtic Name: (2R)-2-[(4S)-4-acetamido-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid Openeye Name: (2R)-2-[(4S)-4-acetamido-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid CAS Name: (2R)-2-[(4S)-4-acetamido-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid IUPAC Name: (2R)-2-[(4S)-4-acetamido-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid Traditional Name: (2R)-2-[(4S)-4-acetamido-3-keto-4,5-dihydro-1H-2-benzazepin-2-yl]propionic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4/c1-9(15(20)21)17-8-12-6-4-3-5-11(12)7-13(14(17)19)16-10(2)18/h3-6,9,13H,7-8H2,1-2H3,(H,16,18)(H,20,21)/t9-,13+/m1/s1