E10

(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE

Created:	2002-07-30
Last modified:	2011-06-04

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1 entries where E10 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	76
Chiral Atom Count	2
Bond Count	79
Aromatic Bond Count	12

2D diagram of E10

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Chemical Component Summary
Name	(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE
Systematic Name (OpenEye OEToolkits)	(5S)-5-[10-[[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
Formula	C₂₈ H₄₂ N₄ O₂
Molecular Weight	466.659
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNC4C3=C(NC(=O)C=C3)CCC4
SMILES	CACTVS	3.341	O=C1NC2=C(C=C1)[CH](CCC2)NCCCCCCCCCCN[CH]3CCCC4=C3C=CC(=O)N4
SMILES	OpenEye OEToolkits	1.5.0	C1CC(C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCNC3CCCC4=C3C=CC(=O)N4
Canonical SMILES	CACTVS	3.341	O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4
InChI	InChI	1.03	InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1
InChIKey	InChI	1.03	CKFAWHBPSZAYLS-ZEQRLZLVSA-N

Related Resource References

Resource Name	Reference
PubChem	5288142, 445974
ChEMBL	CHEMBL483090

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