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

Systemtic Name: N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-4-[[2-(4-tert-butylphenyl)-5-pyridin-4-yl-pyrazol-3-yl]amino]butanamide Openeye Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-[[2-(4-tert-butylphenyl)-5-(4-pyridyl)pyrazol-3-yl]amino]butanamide CAS Name: N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-4-[[2-(4-tert-butylphenyl)-5-pyridin-4-yl-3-pyrazolyl]amino]butanamide IUPAC Name: N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-[[2-(4-tert-butylphenyl)-5-pyridin-4-ylpyrazol-3-yl]amino]butanamide Traditional Name: 4-[[2-(4-tert-butylphenyl)-5-(4-pyridyl)pyrazol-3-yl]amino]-N-tyrosyl-butyramide Formula: C31H36N6O3 MolecularWeight: 540.65594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=NC=C3)NCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=NC=C3)NCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C31H36N6O3/c1-31(2,3)23-8-10-24(11-9-23)37-28(20-27(36-37)22-14-17-33-18-15-22)34-16-4-5-29(39)35-30(40)26(32)19-21-6-12-25(38)13-7-21/h6-15,17-18,20,26,34,38H,4-5,16,19,32H2,1-3H3,(H,35,39,40)