N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-[2-(4-tert-butylphenyl)-5-isoquinolin-3-yl-pyrazol-3-yl]pentanamide

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-[2-(4-tert-butylphenyl)-5-isoquinolin-3-yl-pyrazol-3-yl]pentanamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-(4-tert-butylphenyl)-5-(3-isoquinolyl)pyrazol-3-yl]pentanamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-5-[2-(4-tert-butylphenyl)-5-(3-isoquinolinyl)-3-pyrazolyl]pentanamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-(4-tert-butylphenyl)-5-isoquinolin-3-ylpyrazol-3-yl]pentanamide Traditional Name: 5-[2-(4-tert-butylphenyl)-5-(3-isoquinolyl)pyrazol-3-yl]-N-tyrosyl-valeramide Formula: C36H39N5O3 MolecularWeight: 589.72656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC4=CC=CC=C4C=N3)CCCCC(=O)NC(=O)C(CC5=CC=C(C=C5)O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC4=CC=CC=C4C=N3)CCCCC(=O)NC(=O)C(CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C36H39N5O3/c1-36(2,3)27-14-16-28(17-15-27)41-29(22-33(40-41)32-21-25-8-4-5-9-26(25)23-38-32)10-6-7-11-34(43)39-35(44)31(37)20-24-12-18-30(42)19-13-24/h4-5,8-9,12-19,21-23,31,42H,6-7,10-11,20,37H2,1-3H3,(H,39,43,44)