(Q105219869)

English

2-[3-[(1R,6R,7R,8S,9S,15S,16R,17S)-16-[2-(diaminomethylideneamino)ethyl]-15,17-dihydroxy-7,8-bis(4-hydroxyphenyl)-4,11,14,18-tetraoxo-2,5,10,13-tetrazatricyclo[13.3.0.06,9]octadecan-17-yl]propyl]guanidine

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic cyclopeptide

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mass

708.334358368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₄N₁₀O₈

0 references

canonical SMILES

N=C(N)NCCCC1(O)C(=O)C2NCC(=O)NC3C(NC(=O)CNC(=O)C2(O)C1CCNC(=N)N)C(c1ccc(O)cc1)C3c1ccc(O)cc1

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isomeric SMILES

N=C(N)NCCC[C@@]1(O)C(=O)[C@@H]2NCC(=O)N[C@H]3[C@@H](NC(=O)CNC(=O)[C@]2(O)[C@@H]1CCNC(=N)N)[C@H](c1ccc(O)cc1)[C@@H]3c1ccc(O)cc1

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found in taxon

Phorbas tenacior

1 reference

stated in

Four new dimeric peptide alkaloids, anchinopeptolides B-D, and cycloanchinopeptolide C, congeners of anchinopeptolide A, from the Mediterranean marine sponge Anchinoe tenacior

Identifiers

InChI

InChI=1S/C33H44N10O8/c34-30(35)38-12-1-11-32(50)20(10-13-39-31(36)37)33(51)27(28(32)48)40-14-21(46)42-25-23(16-2-6-18(44)7-3-16)24(17-4-8-19(45)9-5-17)26(25)43-22(47)15-41-29(33)49/h2-9,20,23-27,40,44-45,50-51H,1,10-15H2,(H,41,49)(H,42,46)(H,43,47)(H4,34,35,38)(H4,36,37,39)/t20-,23+,24-,25-,26+,27+,32+,33+/m1/s1

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InChIKey

QFZWTRIATPJVAF-ROVJCKOLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QFZWTRIATPJVAF-ROVJCKOLSA-N

(Q105219869)

2-[3-[(1R,6R,7R,8S,9S,15S,16R,17S)-16-[2-(diaminomethylideneamino)ethyl]-15,17-dihydroxy-7,8-bis(4-hydroxyphenyl)-4,11,14,18-tetraoxo-2,5,10,13-tetrazatricyclo[13.3.0.06,9]octadecan-17-yl]propyl]guanidine

Statements

Identifiers

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