(2S)-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoylamino]propanoic acid

Systemtic Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoylamino]propanoic acid Openeye Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoylamino]propanoic acid CAS Name: (2S)-2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxobutyl]amino]propanoic acid IUPAC Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoylamino]propanoic acid Traditional Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoylamino]propionic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCCN1CCC2=CC=CC=C2C1

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CCCN1CCC2=CC=CC=C2C1

InChI

InChI=1S/C16H22N2O3/c1-12(16(20)21)17-15(19)7-4-9-18-10-8-13-5-2-3-6-14(13)11-18/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,19)(H,20,21)/t12-/m0/s1