(Q27139702)

4-{[(1R,2S,4R,5S,6S)-6-amino-6-benzoyl-5-phenylbicyclo[2.2.1]hept-2-yl]oxy}-4-oxobutanoic acid (English)

7 October 2016

chemical formula

C₂₄H₂₅NO₅

1 reference

4-{[(1R,2S,4R,5S,6S)-6-amino-6-benzoyl-5-phenylbicyclo[2.2.1]hept-2-yl]oxy}-4-oxobutanoic acid (English)

7 October 2016

canonical SMILES

C1C2CC(C1C(C2C3=CC=CC=C3)(C(=O)C4=CC=CC=C4)N)OC(=O)CCC(=O)O

1 reference

4-{[(1R,2S,4R,5S,6S)-6-amino-6-benzoyl-5-phenylbicyclo[2.2.1]hept-2-yl]oxy}-4-oxobutanoic acid (English)

7 October 2016

isomeric SMILES

C1[C@@H]2CC([C@H]1[C@@]([C@@H]2C3=CC=CC=C3)(C(=O)C4=CC=CC=C4)N)OC(=O)CCC(=O)O

1 reference

4-{[(1R,2S,4R,5S,6S)-6-amino-6-benzoyl-5-phenylbicyclo[2.2.1]hept-2-yl]oxy}-4-oxobutanoic acid (English)

InChI=1S/C24H25NO5/c25-24(23(29)16-9-5-2-6-10-16)18-13-17(22(24)15-7-3-1-4-8-15)14-19(18)30-21(28)12-11-20(26)27/h1-10,17-19,22H,11-14,25H2,(H,26,27)/t17-,18+,19?,22-,24-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

4-{[(1R,2S,4R,5S,6S)-6-amino-6-benzoyl-5-phenylbicyclo[2.2.1]hept-2-yl]oxy}-4-oxobutanoic acid (English)

YYUSZVUKKRMJFD-HAHIRZQVSA-N

7 October 2016

InChIKey

2 references

4-{[(1R,2S,4R,5S,6S)-6-amino-6-benzoyl-5-phenylbicyclo[2.2.1]hept-2-yl]oxy}-4-oxobutanoic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-{[(1R,4R,5S,6S)-6-Amino-6-benzoyl-5-phenylbicyclo[2.2.1]hept-2-yl]oxy}-4-oxobutanoic acid (English)

7 October 2016

1 reference

4-{[(1R,2S,4R,5S,6S)-6-amino-6-benzoyl-5-phenylbicyclo[2.2.1]hept-2-yl]oxy}-4-oxobutanoic acid (English)

7 October 2016

ChEBI ID

71549

mapping relation type

1 reference