(Q105103040)

English

3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-[[(2S)-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxo-1-(pentylamino)propan-2-yl]amino]-4-oxobutanoic acid

group of stereoisomers with the chemical formula C₂₈H₃₅F₄N₃O₁₁P₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

727.16829508 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₅F₄N₃O₁₁P₂

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canonical SMILES

CCCCCNC(=O)C(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)C(CC(=O)O)NC(=O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1

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isomeric SMILES

CCCCCNC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)C(CC(=O)O)NC(=O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1

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found in taxon

Sambucus nigra

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stated in

Exposure of alpha2,6-sialylated lactosaminic chains marks apoptotic and necrotic death in different cell types

Identifiers

InChI

InChI=1S/C28H35F4N3O11P2/c1-2-3-4-13-33-25(39)21(14-17-5-9-19(10-6-17)27(29,30)47(41,42)43)35-26(40)22(16-24(37)38)34-23(36)15-18-7-11-20(12-8-18)28(31,32)48(44,45)46/h5-12,21-22H,2-4,13-16H2,1H3,(H,33,39)(H,34,36)(H,35,40)(H,37,38)(H2,41,42,43)(H2,44,45,46)/t21-,22?/m0/s1

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InChIKey

CPPOJMVKKSAADW-HMTLIYDFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CPPOJMVKKSAADW-HMTLIYDFSA-N

1 reference

(Q105103040)

3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-[[(2S)-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxo-1-(pentylamino)propan-2-yl]amino]-4-oxobutanoic acid

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Identifiers

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