F3N

3'-deoxy-3'-(L-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)

Created:	2014-05-18
Last modified:	2014-08-20

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16 entries where F3N is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	5
Bond Count	61
Aromatic Bond Count	16

2D diagram of F3N

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Chemical Component Summary
Name	3'-deoxy-3'-(L-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
Systematic Name (OpenEye OEToolkits)	[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₉ H₂₄ N₇ O₇ P
Molecular Weight	493.41
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4NC(=O)C(N)Cc3ccccc3
SMILES	CACTVS	3.385	N[CH](Cc1ccccc1)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(N)ncnc34
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CC(C(=O)NC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](Cc1ccccc1)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P](O)(O)=O)n3cnc4c(N)ncnc34
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N
InChI	InChI	1.03	InChI=1S/C19H24N7O7P/c20-11(6-10-4-2-1-3-5-10)18(28)25-13-12(7-32-34(29,30)31)33-19(15(13)27)26-9-24-14-16(21)22-8-23-17(14)26/h1-5,8-9,11-13,15,19,27H,6-7,20H2,(H,25,28)(H2,21,22,23)(H2,29,30,31)/t11-,12+,13+,15+,19+/m0/s1
InChIKey	InChI	1.03	FGNMGARNYLAFLT-YCOMJZELSA-N

Related Resource References

Resource Name	Reference
PubChem	137349309

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