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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-pyridin-4-yl-pyrazol-3-yl]pentanamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-(4-pyridyl)pyrazol-3-yl]pentanamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-pyridin-4-yl-3-pyrazolyl]pentanamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[2-[(4-tert-butylphenyl)methyl]-5-pyridin-4-ylpyrazol-3-yl]pentanamide Traditional Name: 5-[2-(4-tert-butylbenzyl)-5-(4-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=CC=NC=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=CC=NC=C3)CCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C33H39N5O3/c1-33(2,3)26-12-8-24(9-13-26)22-38-27(21-30(37-38)25-16-18-35-19-17-25)6-4-5-7-31(40)36-32(41)29(34)20-23-10-14-28(39)15-11-23/h8-19,21,29,39H,4-7,20,22,34H2,1-3H3,(H,36,40,41)