N0T

(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol

Created:	2019-11-04
Last modified:	2020-08-19

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1 entries where N0T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	5
Bond Count	48
Aromatic Bond Count	0

2D diagram of N0T

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Chemical Component Summary
Name	(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
Systematic Name (OpenEye OEToolkits)	(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
Formula	C₁₄ H₂₉ N O₄
Molecular Weight	275.384
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCNC1C(C(C(C1O)O)O)CO
Canonical SMILES	CACTVS	3.385	CCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO
InChI	InChI	1.03	InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1
InChIKey	InChI	1.03	UZTOTQLQFAGSAI-NDKCEZKHSA-N

Related Resource References

Resource Name	Reference
PubChem	154572779

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