(2S)-2-azanyl-N-[(5S)-3-methyl-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-5-yl]propanamide; methanesulfonic acid

Systemtic Name: (2S)-2-azanyl-N-[(5S)-3-methyl-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-5-yl]propanamide; methanesulfonic acid Openeye Name: (2S)-2-amino-N-[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]propanamide; methanesulfonic acid CAS Name: (2S)-2-amino-N-[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]propanamide; methanesulfonic acid IUPAC Name: (2S)-2-amino-N-[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]propanamide; methanesulfonic acid Traditional Name: (2S)-2-amino-N-[(5S)-4-keto-3-methyl-2,5-dihydro-1H-3-benzazepin-5-yl]propionamide; mesylic acid Formula: C15H23N3O5S MolecularWeight: 357.42522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2=CC=CC=C2CCN(C1=O)C)N.CS(=O)(=O)O

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2CCN(C1=O)C)N.CS(=O)(=O)O

InChI

InChI=1S/C14H19N3O2.CH4O3S/c1-9(15)13(18)16-12-11-6-4-3-5-10(11)7-8-17(2)14(12)19;1-5(2,3)4/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,18);1H3,(H,2,3,4)/t9-,12-;/m0./s1