(Q105031501)

English

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

1,056.560395112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₉H₇₆N₁₂O₁₄

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canonical SMILES

CCCCCCCCCCCCC1CC(=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

CCCCCCCCCCCC[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

1 reference

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

Identifiers

InChI=1S/C49H76N12O14/c1-2-3-4-5-6-7-8-9-10-11-13-29-23-42(68)55-33(24-39(51)65)44(70)57-32(22-28-15-17-30(63)18-16-28)43(69)58-34(25-40(52)66)45(71)56-31(19-20-38(50)64)49(75)61-21-12-14-37(61)48(74)59-35(26-41(53)67)46(72)60-36(27-62)47(73)54-29/h15-18,29,31-37,62-63H,2-14,19-27H2,1H3,(H2,50,64)(H2,51,65)(H2,52,66)(H2,53,67)(H,54,73)(H,55,68)(H,56,71)(H,57,70)(H,58,69)(H,59,74)(H,60,72)/t29-,31+,32-,33+,34-,35-,36+,37+/m1/s1

0 references

HOSCYTZCWJWJMP-BKHQMSGASA-N

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2 references

26 December 2021

matched by identifier from

HOSCYTZCWJWJMP-BKHQMSGASA-N

UniChem compound ID

1 reference

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