(Q105292007)

English

N-(3-Bromo-4-hydroxyphenethyl)-N'-(3-bromo-4-(3-(2-hydroxyimino-3-oxo-3-(3-bromo-4-hydroxyphenethylamino)propyl)-5-bromo-6-hydroxyphenyl)oxyphenethyl)-5,5'-dibromo-6,6'-dihydroxybiphenyl 3,3'-di(2-hydroxyiminopropionamide)

chemical compound

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instance of

type of chemical entity

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subclass of

phenethylamine alkaloid

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mass

1,405.811743448 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₄₄Br₆N₆O₁₂

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canonical SMILES

O=C(NCCc1ccc(O)c(Br)c1)C(Cc1cc(Br)c(O)c(Oc2ccc(CCNC(=O)C(Cc3cc(Br)c(O)c(-c4cc(CC(=NO)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)c3)=NO)cc2Br)c1)=NO

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isomeric SMILES

O=C(NCCc1ccc(O)c(Br)c1)/C(Cc1cc(Br)c(O)c(Oc2ccc(CCNC(=O)/C(Cc3cc(Br)c(O)c(-c4cc(C/C(=N\O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)c3)=N/O)cc2Br)c1)=N/O

1 reference

1 reference

Trimeric hemibastadin congener from the marine sponge Ianthella basta

Identifiers

InChI

InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,64-68,72-74H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)/b61-39+,62-40+,63-41+

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InChIKey

VRWFLNVDDMVVDA-OFMCOEKFSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

VRWFLNVDDMVVDA-OFMCOEKFSA-N

1 reference

(Q105292007)

N-(3-Bromo-4-hydroxyphenethyl)-N'-(3-bromo-4-(3-(2-hydroxyimino-3-oxo-3-(3-bromo-4-hydroxyphenethylamino)propyl)-5-bromo-6-hydroxyphenyl)oxyphenethyl)-5,5'-dibromo-6,6'-dihydroxybiphenyl 3,3'-di(2-hydroxyiminopropionamide)

Statements

Identifiers

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