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Summary Geometry Related PDB entries

N7G

Summary

Name:	(2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide
Formula:	C15 H30 N2 O4
Formal charge:	0
Formula weight:	302.41 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide
OpenEye OEToolkits	2.0.6	(2~{R})-~{N}-[3-(5-methoxypentylamino)-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-butanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)(C)C(O)C(NCCC(NCCCCCOC)=O)=O
InChI	InChI	1.03	InChI=1S/C15H30N2O4/c1-15(2,3)13(19)14(20)17-10-8-12(18)16-9-6-5-7-11-21-4/h13,19H,5-11H2,1-4H3,(H,16,18)(H,17,20)/t13-/m0/s1
InChIKey	InChI	1.03	NABPYAZEODOCAF-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	COCCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)C
SMILES	CACTVS	3.385	COCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC(C)(C)[C@H](C(=O)NCCC(=O)NCCCCCOC)O
SMILES	OpenEye OEToolkits	2.0.6	CC(C)(C)C(C(=O)NCCC(=O)NCCCCCOC)O

226707

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