(Q82880057)

English

(2S)-N-[5-[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

N-[5-[3-[4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

1 reference

based on heuristic

inferred from SMILES

mass

664.402044004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂N₁₀O₇

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canonical SMILES

N=C(N)NCCCC(N)C(=O)NCCCCNCCC(=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)NCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O

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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/C30H52N10O7/c31-22(7-6-15-39-30(33)34)28(46)37-14-5-4-11-35-16-10-26(44)36-12-2-1-3-13-38-29(47)23(19-25(32)43)40-27(45)17-20-8-9-21(41)18-24(20)42/h8-9,18,22-23,35,41-42H,1-7,10-17,19,31H2,(H2,32,43)(H,36,44)(H,37,46)(H,38,47)(H,40,45)(H4,33,34,39)/t22-,23-/m0/s1

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InChIKey

FWMLZLXWSGWYGY-GOTSBHOMSA-N

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0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FWMLZLXWSGWYGY-GOTSBHOMSA-N

1 reference

1 reference

matched by identifier from

InChIKey

FWMLZLXWSGWYGY-GOTSBHOMSA-N

DSSTOX compound identifier

DTXCID201339331

0 references

(Q82880057)

(2S)-N-[5-[3-[4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

Statements

Identifiers

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