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

Systemtic Name: (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-4-methyl-pentanoic acid Openeye Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-4-methyl-pentanoic acid CAS Name: (2S)-2-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-4-methylpentanoic acid Traditional Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-4-methyl-valeric acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-11(2)9-14(15(19)20)17-16(21)18-8-7-12-5-3-4-6-13(12)10-18/h3-6,11,14H,7-10H2,1-2H3,(H,17,21)(H,19,20)/t14-/m0/s1