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

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

InChI

InChI=1S/C31H36N6O3/c1-31(2,3)23-10-12-24(13-11-23)37-28(19-27(36-37)22-6-4-16-33-20-22)34-17-5-7-29(39)35-30(40)26(32)18-21-8-14-25(38)15-9-21/h4,6,8-16,19-20,26,34,38H,5,7,17-18,32H2,1-3H3,(H,35,39,40)