(Q82949307)

English

6-Amino-2-({3-amino-2-[(3-{[3-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1,2-dihydroxypropylidene)amino]-1-hydroxypropylidene}amino)-9-{[2-({3-[(4-aminobutyl)amino]propyl}imino)-2-hydroxyet hyl]imino}-7,9-dihydroxynonanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

754.4337380560002 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₈N₁₀O₁₀

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

NCCCCNCCCNC(=O)CNC(=O)CC(O)C(N)CCCC(NC(=O)C(CN)NC(=O)C(O)CNC(=O)CC(N)c1ccc(O)cc1)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C33H58N10O10/c34-11-1-2-12-38-13-4-14-39-30(49)19-41-29(48)16-26(45)22(36)5-3-6-24(33(52)53)42-31(50)25(17-35)43-32(51)27(46)18-40-28(47)15-23(37)20-7-9-21(44)10-8-20/h7-10,22-27,38,44-46H,1-6,11-19,34-37H2,(H,39,49)(H,40,47)(H,41,48)(H,42,50)(H,43,51)(H,52,53)

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InChIKey

HENXXJCYASTLGZ-UHFFFAOYSA-N

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DSSTOX compound identifier

DTXCID00962694

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(Q82949307)

6-Amino-2-({3-amino-2-[(3-{[3-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1,2-dihydroxypropylidene)amino]-1-hydroxypropylidene}amino)-9-{[2-({3-[(4-aminobutyl)amino]propyl}imino)-2-hydroxyet hyl]imino}-7,9-dihydroxynonanoic acid

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