(2S)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]propanoic acid

Systemtic Name: (2S)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]propanoic acid Openeye Name: (2S)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]propanoic acid CAS Name: (2S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]propanoic acid Traditional Name: (2S)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]propionic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCN1CCC2=CC=CC=C2C1

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CCN1CCC2=CC=CC=C2C1

InChI

InChI=1S/C15H20N2O3/c1-11(15(19)20)16-14(18)7-9-17-8-6-12-4-2-3-5-13(12)10-17/h2-5,11H,6-10H2,1H3,(H,16,18)(H,19,20)/t11-/m0/s1