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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-pyridin-3-yl-pyrazol-3-yl]pentanamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-(3-pyridyl)pyrazol-3-yl]pentanamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-(3-pyridinyl)-3-pyrazolyl]pentanamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-pyridin-3-ylpyrazol-3-yl]pentanamide Traditional Name: 5-[2-(4-tert-butylbenzyl)-5-(3-pyridyl)pyrazol-3-yl]-N-tyrosyl-valeramide Formula: C33H39N5O3 MolecularWeight: 553.69446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CN=CC=C3)CCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CN=CC=C3)CCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C33H39N5O3/c1-33(2,3)26-14-10-24(11-15-26)22-38-27(20-30(37-38)25-7-6-18-35-21-25)8-4-5-9-31(40)36-32(41)29(34)19-23-12-16-28(39)17-13-23/h6-7,10-18,20-21,29,39H,4-5,8-9,19,22,34H2,1-3H3,(H,36,40,41)