(Q110159368)

English

Unk-D-Tyr-D-N(Me)Met(O)-D-Tyr-OH

group of stereoisomers with the chemical formula C₃₄H₅₀N₄O₉S

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

690.32985018 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₀N₄O₉S

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canonical SMILES

O=C(O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)CC1=CC=C(O)C=C1)C)CC[S+]([O-])C)CC2=CC=C(O)C=C2

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isomeric SMILES

CCCCCCC[C@@H](N)[C@@H](O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC[S+](C)[O-])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O

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found in taxon

Microcystis aeruginosa

2 references

stated in

Metabolomics-Guided Discovery of Microginin Peptides from Cultures of the Cyanobacterium Microcystis aeruginosa.

stated in

Structure Revision of Microginins 674 and 690 from the Cultured Cyanobacterium Microcystis aeruginosa

Identifiers

InChI

InChI=1S/C34H50N4O9S/c1-4-5-6-7-8-9-26(35)30(41)32(43)36-27(20-22-10-14-24(39)15-11-22)33(44)38(2)29(18-19-48(3)47)31(42)37-28(34(45)46)21-23-12-16-25(40)17-13-23/h10-17,26-30,39-41H,4-9,18-21,35H2,1-3H3,(H,36,43)(H,37,42)(H,45,46)/t26-,27-,28-,29-,30-,48?/m1/s1

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InChIKey

XQNUUSDGKKQDOZ-HSUXGAPZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XQNUUSDGKKQDOZ-HSUXGAPZSA-N

1 reference

(Q110159368)

Unk-D-Tyr-D-N(Me)Met(O)-D-Tyr-OH

Statements

Identifiers

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