DYH

(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid

Created: 2008-05-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count6
Bond Count42
Aromatic Bond Count0
2D diagram of DYH
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Chemical Component Summary

Name(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-7-methylamino-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
FormulaC12 H20 N2 O7
Molecular Weight304.296
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)CC2(OC1C(OCC(O)C1NC)C2)C(=O)O
SMILESCACTVS3.341CN[CH]1[CH](O)CO[CH]2C[C](C[CH](N)C(O)=O)(O[CH]12)C(O)=O
SMILESOpenEye OEToolkits1.5.0CNC1C(COC2C1OC(C2)(CC(C(=O)O)N)C(=O)O)O
Canonical SMILESCACTVS3.341 CN[C@@H]1[C@H](O)CO[C@@H]2C[C@@](C[C@H](N)C(O)=O)(O[C@H]12)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O
InChIInChI1.03 InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
InChIKeyInChI1.03 YUSZFKPLFIQTGF-FDNSHYBFSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL221142
PubChem 9839436, 15450383
ChEMBL CHEMBL221142