UHV

N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

Created:	2020-05-18
Last modified:	2024-09-27

Find Related PDB Entry
2 entries where UHV is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	1
Bond Count	65
Aromatic Bond Count	17

2D diagram of UHV

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-(5-~{tert}-butyl-1,2-oxazol-3-yl)-~{N}-[(1~{R})-2-[(4-methoxy-2-methyl-phenyl)amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
Formula	C₂₅ H₃₀ N₄ O₄
Molecular Weight	450.53
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(c1c(cc(cc1)OC)C)C(=O)C(c2cccnc2)N(c3noc(c3)C(C)(C)C)C(=O)CC
SMILES	CACTVS	3.385	CCC(=O)N([CH](C(=O)Nc1ccc(OC)cc1C)c2cccnc2)c3cc(on3)C(C)(C)C
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N(c1cc(on1)C(C)(C)C)C(c2cccnc2)C(=O)Nc3ccc(cc3C)OC
Canonical SMILES	CACTVS	3.385	CCC(=O)N([C@@H](C(=O)Nc1ccc(OC)cc1C)c2cccnc2)c3cc(on3)C(C)(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC
InChI	InChI	1.03	InChI=1S/C25H30N4O4/c1-7-22(30)29(21-14-20(33-28-21)25(3,4)5)23(17-9-8-12-26-15-17)24(31)27-19-11-10-18(32-6)13-16(19)2/h8-15,23H,7H2,1-6H3,(H,27,31)/t23-/m1/s1
InChIKey	InChI	1.03	UCJCNZJAAQBBMU-HSZRJFAPSA-N

Related Resource References

Resource Name	Reference
PubChem	146673000

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.