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Summary Geometry Related PDB entries

UHS

Summary

Name:	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
Formula:	C21 H30 N4 O3
Formal charge:	0
Formula weight:	386.488 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
OpenEye OEToolkits	2.0.7	~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(5-~{tert}-butyl-1,2-oxazol-3-yl)propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(C(C)(C)C)C(=O)C(N(c1noc(C(C)(C)C)c1)C(=O)CC)c2cnccc2
InChI	InChI	1.03	InChI=1S/C21H30N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h9-13,18H,8H2,1-7H3,(H,23,27)/t18-/m1/s1
InChIKey	InChI	1.03	BFKJCDNTNNMOGO-GOSISDBHSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC(=O)N([C@@H](C(=O)NC(C)(C)C)c1cccnc1)c2cc(on2)C(C)(C)C
SMILES	CACTVS	3.385	CCC(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2cc(on2)C(C)(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N(c1cc(on1)C(C)(C)C)C(c2cccnc2)C(=O)NC(C)(C)C

218853

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