3-phenyl-2-[[4-[(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)methyl]cyclohexyl]carbonylamino]propanoic acid hydrochloride

Systemtic Name: 3-phenyl-2-[[4-[(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)methyl]cyclohexyl]carbonylamino]propanoic acid hydrochloride Openeye Name: 3-phenyl-2-[[4-[(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)methyl]cyclohexanecarbonyl]amino]propanoic acid hydrochloride CAS Name: 2-[[oxo-[4-[[[oxo(1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]amino]methyl]cyclohexyl]methyl]amino]-3-phenylpropanoic acid hydrochloride IUPAC Name: 3-phenyl-2-[[4-[(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)methyl]cyclohexanecarbonyl]amino]propanoic acid hydrochloride Traditional Name: 3-phenyl-2-[[4-[(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)methyl]cyclohexanecarbonyl]amino]propionic acid hydrochloride Formula: C27H34ClN3O4 MolecularWeight: 500.02956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C2CC3=CC=CC=C3CN2)C(=O)NC(CC4=CC=CC=C4)C(=O)O.Cl

Isomeric SMILES

C1CC(CCC1CNC(=O)C2CC3=CC=CC=C3CN2)C(=O)NC(CC4=CC=CC=C4)C(=O)O.Cl

InChI

InChI=1S/C27H33N3O4.ClH/c31-25(30-24(27(33)34)14-18-6-2-1-3-7-18)20-12-10-19(11-13-20)16-29-26(32)23-15-21-8-4-5-9-22(21)17-28-23;/h1-9,19-20,23-24,28H,10-17H2,(H,29,32)(H,30,31)(H,33,34);1H