cerivastatin(1-) (Q27225742)

NCGC00164625-02 (English)

12 October 2016

chemical formula

C₂₆H₃₃FNO₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C1=C(C(=C(C(=N1)C(C)C)C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)COC

1 reference

NCGC00164625-02 (English)

12 October 2016

isomeric SMILES

CC(C)C1=C(C(=C(C(=N1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)COC

1 reference

NCGC00164625-02 (English)

InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/p-1/b11-10+/t19-,20-/m1/s1

12 October 2016

Identifiers

InChI

1 reference

NCGC00164625-02 (English)

SEERZIQQUAZTOL-ANMDKAQQSA-M

12 October 2016

InChIKey

2 references

NCGC00164625-02 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

NCGC00164625-02 (English)

matched by identifier from

12 October 2016

InChIKey

SEERZIQQUAZTOL-ANMDKAQQSA-M

Reaxys registry number

8457739

1 reference

cerivastatin(1-) (English)

12 October 2016

ChEBI ID

406059

mapping relation type

2 references

cerivastatin(1-) (English)