(Q110172735)

English

3-[6,12,19-Tris(2-amino-2-oxoethyl)-22-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(12-methyltridecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide

group of stereoisomers with the chemical formula C₅₁H₈₀N₁₂O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,084.59169524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₈₀N₁₂O₁₄

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canonical SMILES

O=C(N)CCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(NC(=O)C(NC(=O)C(NC(=O)C2N(C1=O)CCC2)CO)CC(=O)N)CCCCCCCCCCCC(C)C)CC(=O)N)CC3=CC=C(O)C=C3)CC(=O)N

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found in taxon

Bacillus subtilis

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stated in

The structure of mycosubtilin, an antibiotic isolated from Bacillus subtilis (author's transl)

Identifiers

InChI

InChI=1S/C51H80N12O14/c1-29(2)13-10-8-6-4-3-5-7-9-11-14-31-24-44(70)57-35(25-41(53)67)47(73)59-34(23-30-16-18-32(65)19-17-30)46(72)60-37(27-43(55)69)48(74)58-33(20-21-40(52)66)51(77)63-22-12-15-39(63)50(76)62-38(28-64)49(75)61-36(26-42(54)68)45(71)56-31/h16-19,29,31,33-39,64-65H,3-15,20-28H2,1-2H3,(H2,52,66)(H2,53,67)(H2,54,68)(H2,55,69)(H,56,71)(H,57,70)(H,58,74)(H,59,73)(H,60,72)(H,61,75)(H,62,76)

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InChIKey

BLABTWCPHRRLHN-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BLABTWCPHRRLHN-UHFFFAOYSA-N

Natural Product Atlas ID

NPA032741

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BLABTWCPHRRLHN-UHFFFAOYSA-N

(Q110172735)

3-[6,12,19-Tris(2-amino-2-oxoethyl)-22-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(12-methyltridecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide

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Identifiers

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