(2S)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methyl-butyric acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CN1CCC2=CC=CC=C2C1

InChI

InChI=1S/C16H22N2O3/c1-11(2)15(16(20)21)17-14(19)10-18-8-7-12-5-3-4-6-13(12)9-18/h3-6,11,15H,7-10H2,1-2H3,(H,17,19)(H,20,21)/t15-/m0/s1