Molecule

Longibrachin LGB III

AlkaPlorer ID: AK038542

Synonym: None

IUPAC Name: (4S)-5-[(2S)-1-[(1S)-1-carboxy-2-phenylethyl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-4-[[2-[[2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-1,5-dihydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-2-methylpropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylbutylidene]amino]-5-hydroxypentanoic acid

Structure

SMILES: CCC(C)(N=C(O)C(C)(C)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)C(C)(C)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)C(C)(C)N=C(O)[C@@H](N=C(O)C(C)(C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](C)N=C(O)C(C)(C)N=C(O)[C@H](C)N=C(O)C(C)(C)N=C(O)[C@H](C)N=C(O)C(C)(C)N=C(C)O)C(C)C)C(C)C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CC=CC=C1)C(=O)O

InChI: InChI=1S/C91H148N22O26/c1-27-91(26,82(138)102-54(37-40-62(118)119)69(124)100-53(35-38-59(92)115)68(123)101-57(75(130)131)43-52-32-29-28-30-33-52)112-81(137)89(22,23)111-73(128)63(46(4)5)103-72(127)58-34-31-41-113(58)83(139)90(24,25)109-71(126)56(42-45(2)3)98-61(117)44-94-76(132)84(12,13)110-74(129)64(47(6)7)104-80(136)88(20,21)108-70(125)55(36-39-60(93)116)99-65(120)48(8)95-78(134)86(16,17)106-67(122)50(10)97-79(135)87(18,19)107-66(121)49(9)96-77(133)85(14,15)105-51(11)114/h28-30,32-33,45-50,53-58,63-64H,27,31,34-44H2,1-26H3,(H2,92,115)(H2,93,116)(H,94,132)(H,95,134)(H,96,133)(H,97,135)(H,98,117)(H,99,120)(H,100,124)(H,101,123)(H,102,138)(H,103,127)(H,104,136)(H,105,114)(H,106,122)(H,107,121)(H,108,125)(H,109,126)(H,110,129)(H,111,128)(H,112,137)(H,118,119)(H,130,131)/t48-,49-,50-,53-,54-,55-,56-,57-,58-,63-,64-,91?/m0/s1

InChIKey: CZQWLPXGSNBACT-BYCSTOSASA-N

Reference

Sequences and Antimycoplasmic Properties of Longibrachins LGB II and LGB III, Two Novel 20-Residue Peptaibols fromTrichodermalongibrachiatum

PubChem CID: 139588765

LOTUS: LTS0159686

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NPAtlas: NPA020255

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Trichoderma longibrachiatum	Trichoderma	Hypocreaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 1966.3129999999992

TPSA？: 802.2800000000004

MolLogP？: 13.716539999999991

Number of H-Donors: 25

Number of H-Acceptors: 24

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi