N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-[2-(4-tert-butylphenyl)-5-quinolin-6-yl-pyrazol-3-yl]pentanamide

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-[2-(4-tert-butylphenyl)-5-quinolin-6-yl-pyrazol-3-yl]pentanamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-(4-tert-butylphenyl)-5-(6-quinolyl)pyrazol-3-yl]pentanamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-5-[2-(4-tert-butylphenyl)-5-(6-quinolinyl)-3-pyrazolyl]pentanamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-(4-tert-butylphenyl)-5-quinolin-6-ylpyrazol-3-yl]pentanamide Traditional Name: 5-[2-(4-tert-butylphenyl)-5-(6-quinolyl)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=C(C=C3)N=CC=C4)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=C(C=C3)N=CC=C4)CCCCC(=O)NC(=O)C(CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C36H39N5O3/c1-36(2,3)27-13-15-28(16-14-27)41-29(23-33(40-41)26-12-19-32-25(22-26)7-6-20-38-32)8-4-5-9-34(43)39-35(44)31(37)21-24-10-17-30(42)18-11-24/h6-7,10-20,22-23,31,42H,4-5,8-9,21,37H2,1-3H3,(H,39,43,44)