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

Systemtic Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]amino]propionic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(C)(C)N1CCC2=CC=CC=C2C1

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-11(14(19)20)17-15(21)16(2,3)18-9-8-12-6-4-5-7-13(12)10-18/h4-7,11H,8-10H2,1-3H3,(H,17,21)(H,19,20)/t11-/m0/s1