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Summary Geometry Related PDB entries

NFH

Summary

Name:	N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide
Formula:	C15 H29 N3 O4
Formal charge:	0
Formula weight:	315.408 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide
OpenEye OEToolkits	1.7.0	(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-butan-2-yl]-2-[[hydroxy(methanoyl)amino]methyl]-4-methyl-pentanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=CN(O)CC(C(=O)NC(C(=O)NC)C(C)(C)C)CC(C)C
SMILES_CANONICAL	CACTVS	3.370	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CN(O)C=O)C(C)(C)C
SMILES	CACTVS	3.370	CNC(=O)[CH](NC(=O)[CH](CC(C)C)CN(O)C=O)C(C)(C)C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C
SMILES	OpenEye OEToolkits	1.7.0	CC(C)CC(CN(C=O)O)C(=O)NC(C(=O)NC)C(C)(C)C
InChI	InChI	1.03	InChI=1S/C15H29N3O4/c1-10(2)7-11(8-18(22)9-19)13(20)17-12(14(21)16-6)15(3,4)5/h9-12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)/t11-,12-/m1/s1
InChIKey	InChI	1.03	YRLGSCVOSAUJJE-VXGBXAGGSA-N

222415

数据于2024-07-10公开中

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