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Summary Geometry Related PDB entries

5IF

Summary

Name:	N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
Formula:	C20 H24 N2 O4
Formal charge:	0
Formula weight:	356.416 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
OpenEye OEToolkits	2.0.7	~{N}-[(1~{R})-1-[4-[4-(hydroxymethyl)phenyl]phenyl]-2-(oxidanylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OCc1ccc(cc1)c1ccc(cc1)C(NC(=O)C(C)(C)C)C(=O)NO
InChI	InChI	1.03	InChI=1S/C20H24N2O4/c1-20(2,3)19(25)21-17(18(24)22-26)16-10-8-15(9-11-16)14-6-4-13(12-23)5-7-14/h4-11,17,23,26H,12H2,1-3H3,(H,21,25)(H,22,24)/t17-/m1/s1
InChIKey	InChI	1.03	RZJKOPJQCUYRDV-QGZVFWFLSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(cc1)c2ccc(CO)cc2
SMILES	CACTVS	3.385	CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2ccc(CO)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccc(cc2)CO)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)C(=O)NC(c1ccc(cc1)c2ccc(cc2)CO)C(=O)NO

223532

PDB entries from 2024-08-07

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