2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C24H30N2O3/c1-17(2)14-22(26-13-12-19-10-6-7-11-20(19)16-26)23(27)25-21(24(28)29)15-18-8-4-3-5-9-18/h3-11,17,21-22H,12-16H2,1-2H3,(H,25,27)(H,28,29)