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

Systemtic Name: (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-methyl-butyrate Formula: C15H19N2O3- MolecularWeight: 275.32296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-10(2)13(14(18)19)16-15(20)17-8-7-11-5-3-4-6-12(11)9-17/h3-6,10,13H,7-9H2,1-2H3,(H,16,20)(H,18,19)/p-1/t13-/m0/s1