FZN

(2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid

Created: 2008-06-18
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count85
Chiral Atom Count11
Bond Count88
Aromatic Bond Count10
2D diagram of FZN
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Chemical Component Summary

Name(2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-6-[1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]sulfanylethylideneamino]hexanoic acid
FormulaC23 H37 N7 O15 P2 S
Molecular Weight745.59
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(S\C(=N/CCCCC(C(=O)O)N)C)C(O)C4O
SMILESCACTVS3.341CC(S[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O)=NCCCC[CH](N)C(O)=O
SMILESOpenEye OEToolkits1.5.0CC(=NCCCCC(C(=O)O)N)SC1C(C(C(O1)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O)O
Canonical SMILESCACTVS3.341 CC(S[C@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)[C@@H](O)[C@H]1O)=NCCCC[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C/C(=N/CCCC[C@@H](C(=O)O)N)/S[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O
InChIInChI1.03 InChI=1S/C23H37N7O15P2S/c1-10(26-5-3-2-4-11(24)22(35)36)48-23-18(34)16(32)13(44-23)7-42-47(39,40)45-46(37,38)41-6-12-15(31)17(33)21(43-12)30-9-29-14-19(25)27-8-28-20(14)30/h8-9,11-13,15-18,21,23,31-34H,2-7,24H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H2,25,27,28)/b26-10-/t11-,12+,13+,15+,16+,17+,18+,21+,23+/m0/s1
InChIKeyInChI1.03 MURMPVFXCLHZCX-WVAZNDMKSA-N