Myropeptin A1

AlkaPlorer ID: AK123215

Synonym: None

IUPAC Name: None

Structure

SMILES: CCCCCCCCCCCC(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=NC(C)(C)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=NC(C)(C)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](C)C(O)=NC(C)(C)C(O)=NCCC(O)=N[C@@H](C)C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=NCCC(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=N[C@@H](C)C(O)=NCCC(=O)O

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InChI: InChI=1S/C89H152N20O22/c1-27-28-29-30-31-32-33-34-35-42-59(111)97-87(21,22)76(129)108-50-37-40-56(108)66(119)100-85(17,18)74(127)106-89(25,26)78(131)109-51-38-41-57(109)67(120)101-84(15,16)73(126)105-88(23,24)77(130)107-49-36-39-55(107)65(118)94-54(4)64(117)98-79(5,6)68(121)91-46-43-58(110)93-53(3)63(116)99-83(13,14)72(125)102-80(7,8)69(122)92-47-44-60(112)96-82(11,12)71(124)104-86(19,20)75(128)103-81(9,10)70(123)95-52(2)62(115)90-48-45-61(113)114/h52-57H,27-51H2,1-26H3,(H,90,115)(H,91,121)(H,92,122)(H,93,110)(H,94,118)(H,95,123)(H,96,112)(H,97,111)(H,98,117)(H,99,116)(H,100,119)(H,101,120)(H,102,125)(H,103,128)(H,104,124)(H,105,126)(H,106,127)(H,113,114)/t52-,53-,54-,55-,56-,57-/m0/s1

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InChIKey: DSMUZDXHOOUKSH-VICXIOLRSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Myrothecium Stachybotryaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 1854.3129999999987

TPSA: 652.2600000000003

MolLogP: 14.1258

Number of H-Donors: 18

Number of H-Acceptors: 21

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information