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Summary Geometry Related PDB entries

4TL

Summary

Name:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
Formula:	C19 H19 F3 N2 O3
Formal charge:	0
Formula weight:	380.361 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
OpenEye OEToolkits	1.9.2	2,2-dimethyl-N-[(1R)-2-(oxidanylamino)-2-oxidanylidene-1-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethyl]propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)(C(NC(c1ccc(cc1)c2cc(F)c(F)c(F)c2)C(=O)NO)=O)C
InChI	InChI	1.03	InChI=1S/C19H19F3N2O3/c1-19(2,3)18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m1/s1
InChIKey	InChI	1.03	WUJRZUJJQZMYBN-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2
SMILES	CACTVS	3.385	CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO
SMILES	OpenEye OEToolkits	1.9.2	CC(C)(C)C(=O)NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO

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