2-[(2-azanyl-3H-1-benzazepin-4-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-3H-1-benzazepin-4-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-amino-3H-1-benzazepine-4-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(2-amino-3H-1-benzazepin-4-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-3H-1-benzazepine-4-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-amino-3H-1-benzazepine-4-carbonyl)amino]-3-methyl-butyric acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2N=C(C1)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2N=C(C1)N

InChI

InChI=1S/C16H19N3O3/c1-9(2)14(16(21)22)19-15(20)11-7-10-5-3-4-6-12(10)18-13(17)8-11/h3-7,9,14H,8H2,1-2H3,(H2,17,18)(H,19,20)(H,21,22)