(3S)-2-[(2S)-2-azanyl-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[(2S)-2-azanyl-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(2S)-2-amino-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[(2S)-2-amino-3-methyl-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(2S)-2-amino-3-methylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(2S)-2-amino-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O)N

InChI

InChI=1S/C15H20N2O3/c1-9(2)13(16)14(18)17-8-11-6-4-3-5-10(11)7-12(17)15(19)20/h3-6,9,12-13H,7-8,16H2,1-2H3,(H,19,20)/t12-,13-/m0/s1