E0N

(2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid

Created:	2018-02-08
Last modified:	2019-08-21

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1 entries where E0N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	2
Bond Count	49
Aromatic Bond Count	6

2D diagram of E0N

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Chemical Component Summary
Name	(2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid
Formula	C₁₈ H₂₃ Cl N₂ O₃
Molecular Weight	350.84
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1[CH](Cc2cc(Cl)ccc12)C(=O)N[CH](C3CCCCC3)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CN1c2ccc(cc2CC1C(=O)NC(C3CCCCC3)C(=O)O)Cl
Canonical SMILES	CACTVS	3.385	CN1[C@H](Cc2cc(Cl)ccc12)C(=O)N[C@H](C3CCCCC3)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1c2ccc(cc2C[C@@H]1C(=O)N[C@H](C3CCCCC3)C(=O)O)Cl
InChI	InChI	1.03	InChI=1S/C18H23ClN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h7-9,11,15-16H,2-6,10H2,1H3,(H,20,22)(H,23,24)/t15-,16-/m1/s1
InChIKey	InChI	1.03	CURRXVCCZQBGQB-HZPDHXFCSA-N

Related Resource References

Resource Name	Reference
PubChem	138857398

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