(2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)propanoate

Systemtic Name: (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)propanoate Openeye Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoate CAS Name: (2S)-2-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]propanoate IUPAC Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoate Traditional Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propionate Formula: C13H15N2O3- MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C13H16N2O3/c1-9(12(16)17)14-13(18)15-7-6-10-4-2-3-5-11(10)8-15/h2-5,9H,6-8H2,1H3,(H,14,18)(H,16,17)/p-1/t9-/m0/s1