EAT

(2S,3S,4R,5S)-2-(1H-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol

Created:	2013-02-19
Last modified:	2013-05-08

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1 entries where EAT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	4
Bond Count	34
Aromatic Bond Count	10

2D diagram of EAT

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Chemical Component Summary
Name	(2S,3S,4R,5S)-2-(1H-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol
Systematic Name (OpenEye OEToolkits)	(2S,3S,4R,5S)-2-(1H-benzimidazol-2-yl)-5-methyl-pyrrolidine-3,4-diol
Formula	C₁₂ H₁₅ N₃ O₂
Molecular Weight	233.266
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC3C(c2nc1ccccc1n2)NC(C)C3O
SMILES	CACTVS	3.370	C[CH]1N[CH]([CH](O)[CH]1O)c2[nH]c3ccccc3n2
SMILES	OpenEye OEToolkits	1.7.6	CC1C(C(C(N1)c2[nH]c3ccccc3n2)O)O
Canonical SMILES	CACTVS	3.370	C[C@@H]1N[C@H]([C@H](O)[C@@H]1O)c2[nH]c3ccccc3n2
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H]1[C@H]([C@H]([C@@H](N1)c2[nH]c3ccccc3n2)O)O
InChI	InChI	1.03	InChI=1S/C12H15N3O2/c1-6-10(16)11(17)9(13-6)12-14-7-4-2-3-5-8(7)15-12/h2-6,9-11,13,16-17H,1H3,(H,14,15)/t6-,9+,10+,11-/m0/s1
InChIKey	InChI	1.03	WKDUAKZZRFRSAE-HCPDIIQCSA-N

Related Resource References

Resource Name	Reference
PubChem	11637226
ChEMBL	CHEMBL2407928

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