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

Systemtic Name: (2S,3S)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methyl-valeric acid Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-3-12(2)16(17(21)22)18-15(20)11-19-9-8-13-6-4-5-7-14(13)10-19/h4-7,12,16H,3,8-11H2,1-2H3,(H,18,20)(H,21,22)/t12-,16-/m0/s1