(Q27071871)

2,4-epi-neoDH (English)

3 October 2016

chemical formula

C₁₁H₁₆NO₈⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C2C(C(C(CO2)O)O)OC1(CC(C(=O)[O-])[NH3+])C(=O)[O-]

1 reference

2,4-epi-neoDH (English)

3 October 2016

isomeric SMILES

C1[C@@H]([C@@H](C2C(O1)C[C@](O2)(C[C@H](C(=O)[O-])[NH3+])C(=O)[O-])O)O

1 reference

2,4-epi-neoDH (English)

InChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/p-1/t4-,5+,6?,7+,8?,11-/m1/s1

3 October 2016

Identifiers

InChI

1 reference

2,4-epi-neoDH (English)

NRTJEXLNSCGBJU-LUHIGIFZSA-M

3 October 2016

InChIKey

1 reference

2,4-epi-neoDH (English)

3 October 2016

1 reference

neodysiherbaine A (English)

3 October 2016

1 reference

(2R,3aR,6R,7S,7aR)-2-[(2S)-2-Amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (English)

3 October 2016

1 reference

(2R,3aR,6S,7R,7aR)-2-[(2S)-2-Amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (English)

3 October 2016

1 reference

(2R,6R,7R)-2-(2-Amino-2-carboxyethyl)-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (English)

3 October 2016

1 reference

Guide to Pharmacology Ligand ID

2,4-epi-neoDH (English)

3 October 2016

1 reference

4102

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

4102

2,4-epi-neodysiherbaine (English)