5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide (Q27455664)

5-(2,5-Dioxo-1-pyrrolidinyl)-N-{2-[2-(2-{[4-O-(alpha-D-idopyranosyl)-alpha-D-mannopyranosyl]oxy}ethoxy)ethoxy]ethyl}pentanamide (English)

19 October 2016

chemical formula

C₂₇H₄₆N₂O₁₆

1 reference

stated in

RCSB protein data bank

PDB ligand ID

5DP

16 February 2021

canonical SMILES

C1CC(=O)N(C1=O)CCCCC(=O)NCCOCCOCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O

1 reference

5-(2,5-Dioxo-1-pyrrolidinyl)-N-{2-[2-(2-{[4-O-(alpha-D-idopyranosyl)-alpha-D-mannopyranosyl]oxy}ethoxy)ethoxy]ethyl}pentanamide (English)

19 October 2016

isomeric SMILES

C1CC(=O)N(C1=O)CCCCC(=O)NCCOCCOCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)O)O

1 reference

5-(2,5-Dioxo-1-pyrrolidinyl)-N-{2-[2-(2-{[4-O-(alpha-D-idopyranosyl)-alpha-D-mannopyranosyl]oxy}ethoxy)ethoxy]ethyl}pentanamide (English)

InChI=1S/C27H46N2O16/c30-13-15-20(35)21(36)23(38)27(43-15)45-25-16(14-31)44-26(24(39)22(25)37)42-12-11-41-10-9-40-8-6-28-17(32)3-1-2-7-29-18(33)4-5-19(29)34/h15-16,20-27,30-31,35-39H,1-14H2,(H,28,32)/t15-,16-,20+,21-,22-,23+,24+,25-,26+,27-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

5-(2,5-Dioxo-1-pyrrolidinyl)-N-{2-[2-(2-{[4-O-(alpha-D-idopyranosyl)-alpha-D-mannopyranosyl]oxy}ethoxy)ethoxy]ethyl}pentanamide (English)

GIIWJKKPIBKANP-SLHLUNFVSA-N

19 October 2016

InChIKey

1 reference

5-(2,5-Dioxo-1-pyrrolidinyl)-N-{2-[2-(2-{[4-O-(alpha-D-idopyranosyl)-alpha-D-mannopyranosyl]oxy}ethoxy)ethoxy]ethyl}pentanamide (English)

19 October 2016

1 reference

5-(2,5-Dioxo-1-pyrrolidinyl)-N-{2-[2-(2-{[4-O-(alpha-D-idopyranosyl)-alpha-D-mannopyranosyl]oxy}ethoxy)ethoxy]ethyl}pentanamide (English)

19 October 2016

1 reference

RCSB PDB - 5DP Ligand Summary Page (English)

stated in

RCSB protein data bank

https://www.rcsb.org/ligand/5DP

23 February 2021

reference URL

1 reference

0 references

1 reference

3CIU (English)