2-[[2-[3,4-dihydro-1H-isoquinolin-2-ylcarbonyl(methyl)amino]ethyl-methyl-carbamoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[3,4-dihydro-1H-isoquinolin-2-ylcarbonyl(methyl)amino]ethyl-methyl-carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[3,4-dihydro-1H-isoquinoline-2-carbonyl(methyl)amino]ethyl-methyl-carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-methylamino]ethyl-methylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[3,4-dihydro-1H-isoquinoline-2-carbonyl(methyl)amino]ethyl-methylcarbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[3,4-dihydro-1H-isoquinoline-2-carbonyl(methyl)amino]ethyl-methyl-carbamoyl]amino]-3-phenyl-propionic acid Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(C)C(=O)N1CCC2=CC=CC=C2C1)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(CCN(C)C(=O)N1CCC2=CC=CC=C2C1)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N4O4/c1-26(23(31)25-21(22(29)30)16-18-8-4-3-5-9-18)14-15-27(2)24(32)28-13-12-19-10-6-7-11-20(19)17-28/h3-11,21H,12-17H2,1-2H3,(H,25,31)(H,29,30)