(Q105263840)

English

3-[(3S,6R,9R,12S,16R,19S,22R,25S)-6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-[(11S)-11-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

chemical compound

In more languages

Statements

type of chemical entity

0 references

3-[6,12,22-Tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-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

1 reference

based on heuristic

inferred from SMILES

1 reference

based on heuristic

inferred from SMILES

1,084.59169524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₈₀N₁₂O₁₄

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canonical SMILES

CCC(C)CCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N2CCCC2C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1

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isomeric SMILES

CC[C@H](C)CCCCCCCCCC[C@@H]1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N1

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Bacillus amyloliquefaciens

2 references

Mulberry anthracnose antagonists (iturins) produced by Bacillus amyloliquefaciens RC-2

Mulberry anthracnose antagonists (iturins) produced by Bacillus amyloliquefaciens RC-2

Identifiers

InChI=1S/C51H80N12O14/c1-3-29(2)13-10-8-6-4-5-7-9-11-14-31-24-44(70)57-35(25-41(53)67)46(72)59-34(23-30-16-18-32(65)19-17-30)45(71)60-36(26-42(54)68)47(73)58-33(20-21-40(52)66)51(77)63-22-12-15-39(63)50(76)61-37(27-43(55)69)48(74)62-38(28-64)49(75)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,56,75)(H,57,70)(H,58,73)(H,59,72)(H,60,71)(H,61,76)(H,62,74)/t29-,31+,33-,34+,35-,36+,37+,38-,39-/m0/s1

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SYWSRNVDWIDEAD-ZTBXLMKQSA-N

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2 references

15 September 2022

matched by identifier from

SYWSRNVDWIDEAD-ZTBXLMKQSA-N

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