Structure Information
Structure

Compound Identification

SMILES

CC1=C(CNCCCNC2=NC3=C(N2)C=CC=N3)SC(C(F)=C)=C1Br.C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C2C(O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O

InChIKey

InChIKey=SKJUQSSGDZDYNI-SRTNTBLUSA-N

Formula

C48H67BrFN5O6S

Mass

941.06

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Entity with smiles CC1=C(CNCCCNC2=NC3=C(N2)C=CC=N3)SC(C(F)=C)=C1Br.C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C2C(O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O has not been classified yet.

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