(Q104997164)

English

[(2R)-4-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-4-oxobutan-2-yl] (2S)-6-[hydroxy(icosanoyl)amino]-2-[[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

azepine alkaloid

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mass

857.5513936 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₆H₇₅N₅O₁₀

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canonical SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N(O)CCCCC(NC(=O)C1COC(c2ccccc2O)=N1)C(=O)OC(C)CC(=O)NC1CCCCN(O)C1=O

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isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@H]1COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(O)C1=O

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found in taxon

Mycobacterium tuberculosis

1 reference

stated in

Isolation and structure of mycobactin T, a growth factor from Mycobacterium tuberculosis

Identifiers

InChI

InChI=1S/C46H75N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-42(54)50(58)31-24-23-28-38(48-43(55)39-34-60-44(49-39)36-26-20-21-29-40(36)52)46(57)61-35(2)33-41(53)47-37-27-22-25-32-51(59)45(37)56/h20-21,26,29,35,37-39,52,58-59H,3-19,22-25,27-28,30-34H2,1-2H3,(H,47,53)(H,48,55)/t35-,37+,38+,39-/m1/s1

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InChIKey

FLJNVPAGIYBTDU-VBCJCOOLSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

Natural Product Atlas ID

NPA024789

1 reference

based on heuristic

inferred from InChIKey

(Q104997164)

[(2R)-4-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-4-oxobutan-2-yl] (2S)-6-[hydroxy(icosanoyl)amino]-2-[[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate

Statements

Identifiers

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