(2S)-1-{N-[(1R,3S,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl]glycyl}pyrrolidine-2-carbonitrile (Q27462467)

(2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-pyrrolidinecarbonitrile (English)

19 October 2016

chemical formula

C₁₇H₂₇N₃O₂

1 reference

stated in

RCSB protein data bank

PDB ligand ID

LF7

16 February 2021

canonical SMILES

C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N

1 reference

(2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-pyrrolidinecarbonitrile (English)

19 October 2016

isomeric SMILES

C1C[C@H](N(C1)C(=O)CN[C@@]23C[C@H]4C[C@@H](C2)C[C@](C4)(C3)O)C#N

1 reference

(2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-pyrrolidinecarbonitrile (English)

InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12-,13+,14-,16+,17-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-pyrrolidinecarbonitrile (English)

SYOKIDBDQMKNDQ-NHMCJKAESA-N

19 October 2016

InChIKey

1 reference

(2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-pyrrolidinecarbonitrile (English)

19 October 2016

1 reference

(2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-pyrrolidinecarbonitrile (English)

19 October 2016

0 references

0 references

1 reference

3W2T (English)