(Q105139061)

English

(2R,4S)-5,5,5-Trichloro-4-methyl-2-[methyl[(S)-4,4,4-trichloro-3-methyl-1-oxobutyl]amino]-N-[(2-thiazolyl)methyl]pentanamide

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5,5,5-trichloro-4-methyl-2-[methyl-(4,4,4-trichloro-3-methylbutanoyl)amino]-N-(1,3-thiazol-2-ylmethyl)pentanamide

1 reference

based on heuristic

inferred from SMILES

mass

528.948563992 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₁Cl₆N₃O₂S

0 references

canonical SMILES

CC(CC(=O)N(C)C(CC(C)C(Cl)(Cl)Cl)C(=O)NCc1nccs1)C(Cl)(Cl)Cl

0 references

isomeric SMILES

C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)NCc1nccs1)C(Cl)(Cl)Cl

0 references

found in taxon

Lamellodysidea herbacea

3 references

stated in

New Chlorinated Metabolites from the Tropical Marine Sponge Dysidea herbacea

stated in

New polychlorinated metabolites from a Barrier Reef collection of the sponge Dysidea herbacea

stated in

Cyanobacterial symbiont biosynthesis of chlorinated metabolites fromDysidea herbacea (Porifera)

Identifiers

InChI

InChI=1S/C16H21Cl6N3O2S/c1-9(15(17,18)19)6-11(14(27)24-8-12-23-4-5-28-12)25(3)13(26)7-10(2)16(20,21)22/h4-5,9-11H,6-8H2,1-3H3,(H,24,27)/t9-,10-,11+/m0/s1

0 references

InChIKey

KDAYUPCSRRZKKN-GARJFASQSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

KDAYUPCSRRZKKN-GARJFASQSA-N

1 reference

(Q105139061)

(2R,4S)-5,5,5-Trichloro-4-methyl-2-[methyl[(S)-4,4,4-trichloro-3-methyl-1-oxobutyl]amino]-N-[(2-thiazolyl)methyl]pentanamide

Statements

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