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7-Azaprostanoic acid ,Hexanoic acid, 6-((2-octylcyclopentyl)amino)-, (

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摘 要:7-Azaprostanoic acid ,Hexanoic acid, 6-((2-octylcyclopentyl)amino)-, (1S-trans)-,127229-00-9, 6-[[(1S,2S)-2-octylcyclopentyl]amino]hexanoic acid,Canonical SMILES: CCCCCCCCC1CCCC1NCCCCCC(=O)O,Isomeric SMILES: CCCCCCCC[C@H]1CCC[C@@H]1NCCCCCC(=O)O,InChI
[Synonyms]
7-Azaprostanoic acid
Hexanoic acid, 6-((2-octylcyclopentyl)amino)-, (1S-trans)-
127229-00-9

[Structure]
7-Azaprostanoic acid ,Hexanoic acid, 6-((2-octylcyclopentyl)amino)-, (

[ Properties Computed from Structure]
Molecular Weight311.50258 [g/mol]
Molecular FormulaC19H37NO2
XLogP6
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count14
Exact Mass311.282429
MonoIsotopic Mass311.282429
Topological Polar Surface Area49.3
Heavy Atom Count22
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 6-[[(1S,2S)-2-octylcyclopentyl]amino]hexanoic acid
Canonical SMILES: CCCCCCCCC1CCCC1NCCCCCC(=O)O
Isomeric SMILES: CCCCCCCC[C@H]1CCC[C@@H]1NCCCCCC(=O)O
InChI: InChI=1/C19H37NO2/c1-2-3-4-5-6-8-12-17-13-11-14-18(17)20-16-10-7-9-15-19
(21)22/h17-18,20H,2-16H2,1H3,(H,21,22)/t17-,18-/m0/s1/f/h21H

 
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