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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-quinolin-6-yl-pyrazol-3-yl]pentanamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-(6-quinolyl)pyrazol-3-yl]pentanamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-(6-quinolinyl)-3-pyrazolyl]pentanamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-quinolin-6-ylpyrazol-3-yl]pentanamide Traditional Name: 5-[2-(4-tert-butylbenzyl)-5-(6-quinolyl)pyrazol-3-yl]-N-tyrosyl-valeramide Formula: C37H41N5O3 MolecularWeight: 603.75314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=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)CN2C(=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/C37H41N5O3/c1-37(2,3)29-15-10-26(11-16-29)24-42-30(23-34(41-42)28-14-19-33-27(22-28)7-6-20-39-33)8-4-5-9-35(44)40-36(45)32(38)21-25-12-17-31(43)18-13-25/h6-7,10-20,22-23,32,43H,4-5,8-9,21,24,38H2,1-3H3,(H,40,44,45)