(Q105219827)

English

[(2R,3S)-1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxotetradecan-3-yl] (2R)-6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-1,3-oxazole-4-carbonyl]amino]hexanoate

chemical compound

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instance of

type of chemical entity

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757.426193088 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₉N₅O₁₀

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canonical SMILES

CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O

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isomeric SMILES

CCCCCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O

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found in taxon

Nocardia

1 reference

stated in

Nocardimicins A, B, C, D, E, and F, siderophores with muscarinic M3 receptor inhibiting activity from Nocardia sp. TP-A0674.

Identifiers

InChI

InChI=1S/C39H59N5O10/c1-4-5-6-7-8-9-10-11-12-23-34(27(2)35(47)40-30-20-15-18-25-44(52)38(30)49)54-39(50)31(21-16-17-24-43(51)28(3)45)41-36(48)32-26-53-37(42-32)29-19-13-14-22-33(29)46/h13-14,19,22,26-27,30-31,34,46,51-52H,4-12,15-18,20-21,23-25H2,1-3H3,(H,40,47)(H,41,48)/t27-,30-,31-,34+/m1/s1

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InChIKey

QFWVGKDFYOXTQO-OKVRIBCFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QFWVGKDFYOXTQO-OKVRIBCFSA-N

(Q105219827)

[(2R,3S)-1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxotetradecan-3-yl] (2R)-6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-1,3-oxazole-4-carbonyl]amino]hexanoate

Statements

Identifiers

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