Molecule

Longibrachin LGB II

AlkaPlorer ID: AK038528

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-methylpropylidene]amino]-5-hydroxypentanoic acid

Structure

SMILES: CC(O)=NC(C)(C)C(O)=N[C@@H](C)C(O)=NC(C)(C)C(O)=N[C@@H](C)C(O)=NC(C)(C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=N)O)C(O)=NC(C)(C)C(O)=N[C@H](C(O)=NC(C)(C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=NC(C)(C)C(O)=NC(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)C(C)C)C(C)C

InChI: InChI=1S/C90H146N22O26/c1-44(2)41-55(70(125)108-90(25,26)82(138)112-40-30-33-57(112)71(126)102-62(45(3)4)72(127)110-89(23,24)81(137)111-88(21,22)79(135)101-53(36-39-61(117)118)68(123)99-52(34-37-58(91)114)67(122)100-56(74(129)130)42-51-31-28-27-29-32-51)97-60(116)43-93-75(131)83(11,12)109-73(128)63(46(5)6)103-80(136)87(19,20)107-69(124)54(35-38-59(92)115)98-64(119)47(7)94-77(133)85(15,16)105-66(121)49(9)96-78(134)86(17,18)106-65(120)48(8)95-76(132)84(13,14)104-50(10)113/h27-29,31-32,44-49,52-57,62-63H,30,33-43H2,1-26H3,(H2,91,114)(H2,92,115)(H,93,131)(H,94,133)(H,95,132)(H,96,134)(H,97,116)(H,98,119)(H,99,123)(H,100,122)(H,101,135)(H,102,126)(H,103,136)(H,104,113)(H,105,121)(H,106,120)(H,107,124)(H,108,125)(H,109,128)(H,110,127)(H,111,137)(H,117,118)(H,129,130)/t47-,48-,49-,52-,53-,54-,55-,56-,57-,62-,63-/m0/s1

InChIKey: PKHJDBCKUHACEM-DYSRVMAUSA-N

Reference

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

PubChem CID: 139588764

LOTUS: LTS0081631

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NPAtlas: NPA020254

Source

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

Properties Information

Molecule Weight: 1952.286

TPSA？: 802.2800000000004

MolLogP？: 13.326439999999993

Number of H-Donors: 25

Number of H-Acceptors: 24

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi