(Q104969030)

English

(2S)-N-[5-[[(2R)-5-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]pentanoyl]amino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

chemical compound

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instance of

type of chemical entity

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subclass of

N-[5-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]pentanoyl]amino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

1 reference

based on heuristic

inferred from SMILES

mass

636.370743876 dalton

1 reference

1 reference

inferred from InChIKey

(2S)-N-[5-[[(2S)-5-amino-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]pentanoyl]amino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₈N₁₀O₇

0 references

canonical SMILES

N=C(N)NCCCC(N)C(=O)NC(CCCN)C(=O)NCCCCCNC(=O)C(CC(N)=O)NC(=O)Cc1ccc(O)cc1O

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isomeric SMILES

N=C(N)NCCC[C@H](N)C(=O)N[C@H](CCCN)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O

0 references

found in taxon

Nephila clavata

1 reference

stated in

Finding of primitive polyamine toxins in the venom of a joro spider, Nephila clavata

Trichonephila clavata

1 reference

stated in

Finding of primitive polyamine toxins in the venom of a joro spider, Nephila clavata

Identifiers

InChI

InChI=1S/C28H48N10O7/c29-10-4-7-20(38-25(43)19(30)6-5-13-36-28(32)33)26(44)34-11-2-1-3-12-35-27(45)21(16-23(31)41)37-24(42)14-17-8-9-18(39)15-22(17)40/h8-9,15,19-21,39-40H,1-7,10-14,16,29-30H2,(H2,31,41)(H,34,44)(H,35,45)(H,37,42)(H,38,43)(H4,32,33,36)/t19-,20+,21-/m0/s1

0 references

InChIKey

CRZSEQMZZYKNLU-HBMCJLEFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CRZSEQMZZYKNLU-HBMCJLEFSA-N

(Q104969030)

(2S)-N-[5-[[(2R)-5-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]pentanoyl]amino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

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