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Summary Geometry Related PDB entries

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Summary

Name:	3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide
Formula:	C20 H20 F3 N3 O2
Formal charge:	0
Formula weight:	391.387 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide
OpenEye OEToolkits	2.0.7	3-methyl-~{N}-[(1~{R})-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[[4-(trifluoromethyl)phenyl]methyl]-1~{H}-pyrrole-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3cc(Cc2c(c(C(NC(c1cc(C)on1)C)=O)nc2)C)ccc3C(F)(F)F
InChI	InChI	1.03	InChI=1S/C20H20F3N3O2/c1-11-8-17(26-28-11)13(3)25-19(27)18-12(2)15(10-24-18)9-14-4-6-16(7-5-14)20(21,22)23/h4-8,10,13,24H,9H2,1-3H3,(H,25,27)/t13-/m1/s1
InChIKey	InChI	1.03	GROSLFWKUCPUQW-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](NC(=O)c1[nH]cc(Cc2ccc(cc2)C(F)(F)F)c1C)c3cc(C)on3
SMILES	CACTVS	3.385	C[CH](NC(=O)c1[nH]cc(Cc2ccc(cc2)C(F)(F)F)c1C)c3cc(C)on3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)Cc3ccc(cc3)C(F)(F)F)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(no1)C(C)NC(=O)c2c(c(c[nH]2)Cc3ccc(cc3)C(F)(F)F)C

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