3-[[3-(3-benzamido-4-morpholin-4-yl-phenyl)phenyl]methyl-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-(3-benzamido-4-morpholin-4-yl-phenyl)phenyl]methyl-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-amino]propanoic acid Openeye Name: 3-[[3-(3-benzamido-4-morpholino-phenyl)phenyl]methyl-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-benzamido-4-(4-morpholinyl)phenyl]phenyl]methyl-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-(3-benzamido-4-morpholin-4-ylphenyl)phenyl]methyl-(5-tert-butyl-2-methylpyrazole-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-(3-benzamido-4-morpholino-phenyl)benzyl]-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]propionic acid Formula: C36H41N5O5 MolecularWeight: 623.74124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N(CCC(=O)O)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N(CCC(=O)O)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C36H41N5O5/c1-36(2,3)32-23-31(39(4)38-32)35(45)41(16-15-33(42)43)24-25-9-8-12-27(21-25)28-13-14-30(40-17-19-46-20-18-40)29(22-28)37-34(44)26-10-6-5-7-11-26/h5-14,21-23H,15-20,24H2,1-4H3,(H,37,44)(H,42,43)