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Summary Geometry Related PDB entries

EXS

Summary

Name:	(2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide
Formula:	C15 H21 N3 O4
Formal charge:	0
Formula weight:	307.345 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide
OpenEye OEToolkits	2.0.6	(2~{R})-3,3-dimethyl-2,4-bis(oxidanyl)-~{N}-[2-(7-oxidanyl-1~{H}-benzimidazol-2-yl)ethyl]butanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(nc1c(cccc1O)n2)CCNC(=O)C(C(C)(C)CO)O
InChI	InChI	1.03	InChI=1S/C15H21N3O4/c1-15(2,8-19)13(21)14(22)16-7-6-11-17-9-4-3-5-10(20)12(9)18-11/h3-5,13,19-21H,6-8H2,1-2H3,(H,16,22)(H,17,18)/t13-/m0/s1
InChIKey	InChI	1.03	SKIDJNQZVCDYIE-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(CO)[C@@H](O)C(=O)NCCc1[nH]c2c(O)cccc2n1
SMILES	CACTVS	3.385	CC(C)(CO)[CH](O)C(=O)NCCc1[nH]c2c(O)cccc2n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC(C)(CO)[C@H](C(=O)NCCc1[nH]c2c(n1)cccc2O)O
SMILES	OpenEye OEToolkits	2.0.6	CC(C)(CO)C(C(=O)NCCc1[nH]c2c(n1)cccc2O)O

226262

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