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Summary Geometry Related PDB entries

MI0

Summary

Name:	(3R,4S)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methyl-pentanamide
Formula:	C12 H22 F2 N2 O2
Formal charge:	0
Formula weight:	264.312 Da
Component type:	peptide-like

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methylpentanamide (non-preferred name)
OpenEye OEToolkits	1.7.0	(3R,4S)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methyl-pentanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC)C(F)(F)C(O)C(N)CC1CCCCC1
SMILES_CANONICAL	CACTVS	3.370	CNC(=O)C(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
SMILES	CACTVS	3.370	CNC(=O)C(F)(F)[CH](O)[CH](N)CC1CCCCC1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CNC(=O)C([C@@H]([C@H](CC1CCCCC1)N)O)(F)F
SMILES	OpenEye OEToolkits	1.7.0	CNC(=O)C(C(C(CC1CCCCC1)N)O)(F)F
InChI	InChI	1.03	InChI=1S/C12H22F2N2O2/c1-16-11(18)12(13,14)10(17)9(15)7-8-5-3-2-4-6-8/h8-10,17H,2-7,15H2,1H3,(H,16,18)/t9-,10+/m0/s1
InChIKey	InChI	1.03	ZJXKKRMJDAUFQJ-VHSXEESVSA-N

222415

PDB entries from 2024-07-10

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