D9P

1-desthiobiotinylpyrene

Created:	2016-03-15
Last modified:	2016-10-12

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1 entries where D9P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	2
Bond Count	60
Aromatic Bond Count	19

2D diagram of D9P

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Chemical Component Summary
Name	1-desthiobiotinylpyrene
Systematic Name (OpenEye OEToolkits)	(4~{S},5~{R})-4-methyl-5-(6-oxidanylidene-6-pyren-1-yl-hexyl)imidazolidin-2-one
Formula	C₂₆ H₂₆ N₂ O₂
Molecular Weight	398.497
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1ccc4c2c1ccc3c2c(ccc3)cc4)CCCCCC5NC(NC5C)=O
SMILES	CACTVS	3.385	C[CH]1NC(=O)N[CH]1CCCCCC(=O)c2ccc3ccc4cccc5ccc2c3c45
SMILES	OpenEye OEToolkits	2.0.4	CC1C(NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5
Canonical SMILES	CACTVS	3.385	C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)c2ccc3ccc4cccc5ccc2c3c45
Canonical SMILES	OpenEye OEToolkits	2.0.4	C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5
InChI	InChI	1.03	InChI=1S/C26H26N2O2/c1-16-22(28-26(30)27-16)8-3-2-4-9-23(29)20-14-12-19-11-10-17-6-5-7-18-13-15-21(20)25(19)24(17)18/h5-7,10-16,22H,2-4,8-9H2,1H3,(H2,27,28,30)/t16-,22+/m0/s1
InChIKey	InChI	1.03	GEJQOLRONNVYHQ-KSFYIVLOSA-N

Related Resource References

Resource Name	Reference
PubChem	122174236

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