N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-(2-hexyl-5-pyrazin-2-yl-pyrazol-3-yl)pentanamide

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-(2-hexyl-5-pyrazin-2-yl-pyrazol-3-yl)pentanamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-(2-hexyl-5-pyrazin-2-yl-pyrazol-3-yl)pentanamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-5-[2-hexyl-5-(2-pyrazinyl)-3-pyrazolyl]pentanamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-5-(2-hexyl-5-pyrazin-2-ylpyrazol-3-yl)pentanamide Traditional Name: 5-(2-hexyl-5-pyrazin-2-yl-pyrazol-3-yl)-N-tyrosyl-valeramide Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=CC(=N1)C2=NC=CN=C2)CCCCC(=O)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CCCCCCN1C(=CC(=N1)C2=NC=CN=C2)CCCCC(=O)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C27H36N6O3/c1-2-3-4-7-16-33-21(18-24(32-33)25-19-29-14-15-30-25)8-5-6-9-26(35)31-27(36)23(28)17-20-10-12-22(34)13-11-20/h10-15,18-19,23,34H,2-9,16-17,28H2,1H3,(H,31,35,36)