1,3'-bis(2-deoxy-beta-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one (Q27225446)

dC64dC_dewar (English)

12 October 2016

chemical formula

C₁₈H₂₆N₆O₈

1 reference

dC64dC_dewar (English)

12 October 2016

canonical SMILES

C1C(C(OC1N2C(C(C(=NC2=O)N)N)C3C=C4N3C(=O)N4C5CC(C(O5)CO)O)CO)O

1 reference

dC64dC_dewar (English)

12 October 2016

isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C(C(C(=NC2=O)N)N)C3C=C4N3C(=O)N4[C@H]5C[C@@H]([C@H](O5)CO)O)CO)O

1 reference

dC64dC_dewar (English)

InChI=1S/C18H26N6O8/c19-14-15(24(17(29)21-16(14)20)13-3-8(28)10(5-26)32-13)6-1-11-22(6)18(30)23(11)12-2-7(27)9(4-25)31-12/h1,6-10,12-15,25-28H,2-5,19H2,(H2,20,21,29)/t6?,7-,8-,9+,10+,12+,13+,14?,15?/m0/s1

12 October 2016

Identifiers

InChI

1 reference

dC64dC_dewar (English)

PJZCWYHLSJIVOD-LSJQNWEUSA-N

12 October 2016

InChIKey

2 references

dC64dC_dewar (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

dC64dC_dewar (English)

matched by identifier from

12 October 2016

InChIKey

PJZCWYHLSJIVOD-LSJQNWEUSA-N

139032718

1 reference

matched by identifier from

InChIKey

PJZCWYHLSJIVOD-LSJQNWEUSA-N

ChEBI ID

132158

mapping relation type

2 references

1,3'-bis(2-deoxy-beta-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one (English)