(Q115971713)

English

(2S)-2-[[(2S)-2-[[(3S)-3-amino-2-hydroxydecanoyl]amino]propanoyl]amino]-3-methylbutanoic acid

group of stereoisomers with the chemical formula C₁₈H₃₅N₃O₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

373.25767122 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₃₅N₃O₅

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canonical SMILES

O=C(O)C(NC(=O)C(NC(=O)C(O)C(N)CCCCCCC)C)C(C)C

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isomeric SMILES

CCCCCCC[C@H](N)C(O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C

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found in taxon

Microcystis aeruginosa

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stated in

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

Identifiers

InChI

InChI=1S/C18H35N3O5/c1-5-6-7-8-9-10-13(19)15(22)17(24)20-12(4)16(23)21-14(11(2)3)18(25)26/h11-15,22H,5-10,19H2,1-4H3,(H,20,24)(H,21,23)(H,25,26)/t12-,13-,14-,15?/m0/s1

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InChIKey

PRSVXGXZMKUSJJ-LOKSQKBWSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

PRSVXGXZMKUSJJ-LOKSQKBWSA-N

1 reference

(Q115971713)

(2S)-2-[[(2S)-2-[[(3S)-3-amino-2-hydroxydecanoyl]amino]propanoyl]amino]-3-methylbutanoic acid

Statements

Identifiers

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