(Q104934924)

English

(2R,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[(3R)-4,4,4-trichloro-3-methylbutanoyl]amino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamide

chemical compound

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Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

542.964214056 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,4R)-5,5,5-trichloro-4-methyl-2-[methyl-[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamide

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₁₇H₂₃Cl₆N₃O₂S

0 references

canonical SMILES

CC(NC(=O)C(CC(C)C(Cl)(Cl)Cl)N(C)C(=O)CC(C)C(Cl)(Cl)Cl)c1nccs1

0 references

isomeric SMILES

C[C@H](NC(=O)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C(=O)C[C@@H](C)C(Cl)(Cl)Cl)c1nccs1

0 references

Lamellodysidea herbacea

1 reference

Structure of (-)-neodysidenin from Dysidea herbacea. Implications for biosynthesis of 5,5,5-trichloroleucine peptides

Identifiers

InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(14(28)25-11(3)15-24-5-6-29-15)26(4)13(27)8-10(2)17(21,22)23/h5-6,9-12H,7-8H2,1-4H3,(H,25,28)/t9-,10+,11-,12+/m0/s1

0 references

BFVRAKVNXYQMID-WHOHXGKFSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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