(Q82896164)

English

N-{2-[(3-{[2,3-Bis(hexadecanoyloxy)propyl]sulfanyl}-1-hydroxy-2-[(1-hydroxyhexadecylidene)amino]propylidene)amino]-1-hydroxypropylidene}glycine

group of stereoisomers with the chemical formula C₅₉H₁₁₁N₃O₉S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,037.8041031320001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₉H₁₁₁N₃O₉S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(N=C(O)CCCCCCCCCCCCCCC)C(O)=NC(C)C(O)=NCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](C)C(=O)NCC(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C59H111N3O9S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-54(63)62-53(59(69)61-51(4)58(68)60-47-55(64)65)50-72-49-52(71-57(67)46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)48-70-56(66)45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h51-53H,5-50H2,1-4H3,(H,60,68)(H,61,69)(H,62,63)(H,64,65)/t51-,52?,53-/m0/s1

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InChIKey

MELKZHAKCJIPSL-JYHYCRSOSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID301351449

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(Q82896164)

N-{2-[(3-{[2,3-Bis(hexadecanoyloxy)propyl]sulfanyl}-1-hydroxy-2-[(1-hydroxyhexadecylidene)amino]propylidene)amino]-1-hydroxypropylidene}glycine

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Identifiers

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