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

Systemtic Name: (2S)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-3-methyl-butyric acid Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCN1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CCN1CCC2=CC=CC=C2C1

InChI

InChI=1S/C17H24N2O3/c1-12(2)16(17(21)22)18-15(20)8-10-19-9-7-13-5-3-4-6-14(13)11-19/h3-6,12,16H,7-11H2,1-2H3,(H,18,20)(H,21,22)/t16-/m0/s1