(Q105022853)

English

(3R,6S,9S,13R)-9-benzyl-6-methyl-3-(2-methylpropyl)-13-[(2S)-octan-2-yl]-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

9-Benzyl-6-methyl-3-(2-methylpropyl)-13-octan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

515.33592154 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₅N₃O₅

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canonical SMILES

CCCCCCC(C)C1CC(=O)NC(Cc2ccccc2)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O1

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isomeric SMILES

CCCCCC[C@H](C)[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1

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found in taxon

Beauveria brongniartii

1 reference

stated in

Beauverolides L and La from Beauveria tenella and Paecilomyces fumosoroseus

Beauveria tenella

1 reference

stated in

Beauverolides L and La from Beauveria tenella and Paecilomyces fumosoroseus

Cordyceps fumosorosea

1 reference

stated in

Beauverolides L and La from Beauveria tenella and Paecilomyces fumosoroseus

Identifiers

InChI

InChI=1S/C29H45N3O5/c1-6-7-8-10-13-20(4)25-18-26(33)31-23(17-22-14-11-9-12-15-22)28(35)30-21(5)27(34)32-24(16-19(2)3)29(36)37-25/h9,11-12,14-15,19-21,23-25H,6-8,10,13,16-18H2,1-5H3,(H,30,35)(H,31,33)(H,32,34)/t20-,21-,23-,24+,25+/m0/s1

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InChIKey

GWWZRNBLQTXNPF-LYIXCCSJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GWWZRNBLQTXNPF-LYIXCCSJSA-N

(Q105022853)

(3R,6S,9S,13R)-9-benzyl-6-methyl-3-(2-methylpropyl)-13-[(2S)-octan-2-yl]-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

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Identifiers

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