(Q105302495)

English

(1S,4S,7S,13R,16S,19S,20S)-19-decanoyl-13-methyl-16-(2-methylpropyl)-4-propan-2-yl-25-thia-2,5,11,14,17,22-hexazatricyclo[18.3.2.07,11]pentacosane-3,6,12,15,18,23-hexone

chemical compound

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type of chemical entity

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1 reference

19-Decanoyl-13-methyl-16-(2-methylpropyl)-4-propan-2-yl-25-thia-2,5,11,14,17,22-hexazatricyclo[18.3.2.07,11]pentacosane-3,6,12,15,18,23-hexone

1 reference

based on heuristic

inferred from SMILES

mass

720.42441926 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₆₀N₆O₇S

0 references

canonical SMILES

CCCCCCCCCC(=O)C1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)NC2CSC1CNC2=O

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isomeric SMILES

CCCCCCCCCC(=O)[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]2CS[C@@H]1CNC2=O

0 references

found in taxon

Streptococcus mutans

1 reference

stated in

Mutanobactin A from the human oral pathogen Streptococcus mutans is a cross-kingdom regulator of the yeast-mycelium transition

Identifiers

InChI

InChI=1S/C36H60N6O7S/c1-7-8-9-10-11-12-13-16-27(43)29-28-19-37-31(44)25(20-50-28)40-35(48)30(22(4)5)41-33(46)26-15-14-17-42(26)36(49)23(6)38-32(45)24(18-21(2)3)39-34(29)47/h21-26,28-30H,7-20H2,1-6H3,(H,37,44)(H,38,45)(H,39,47)(H,40,48)(H,41,46)/t23-,24+,25-,26+,28-,29-,30+/m1/s1

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InChIKey

WDKYFUSPNIQGDO-CUCGFABZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WDKYFUSPNIQGDO-CUCGFABZSA-N

(Q105302495)

(1S,4S,7S,13R,16S,19S,20S)-19-decanoyl-13-methyl-16-(2-methylpropyl)-4-propan-2-yl-25-thia-2,5,11,14,17,22-hexazatricyclo[18.3.2.07,11]pentacosane-3,6,12,15,18,23-hexone

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