Molecule

Longibrachin LGA IV

AlkaPlorer ID: AK171232

Synonym: ''

IUPAC Name: (2S)-2-[(3S)-3-[[2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2R)-2-[[2-[[(2R)-1,5-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-[[(2R)-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]-2-methylpropylidene]amino]-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-2-methylpropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-3-methyl-2-oxopentyl]-N-[(2R)-1,5-dihydroxy-1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]imino-5-iminopentan-2-yl]pentanediimidic acid

Structure

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

InChI: InChI=1S/C92H152N22O24/c1-28-92(27,59(117)44-54(36-39-60(93)118)69(124)100-56(37-40-61(94)119)70(125)99-55(46-115)43-53-33-30-29-31-34-53)113-82(137)90(23,24)110-74(129)65(48(4)5)103-72(127)58-35-32-42-114(58)83(138)91(25,26)111-73(128)64(47(2)3)102-63(121)45-96-76(131)84(11,12)109-75(130)66(49(6)7)104-80(135)87(17,18)108-71(126)57(38-41-62(95)120)101-79(134)88(19,20)112-81(136)89(21,22)107-68(123)51(9)98-78(133)86(15,16)106-67(122)50(8)97-77(132)85(13,14)105-52(10)116/h29-31,33-34,47-51,54-58,64-66,115H,28,32,35-46H2,1-27H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,131)(H,97,132)(H,98,133)(H,99,125)(H,100,124)(H,101,134)(H,102,121)(H,103,127)(H,104,135)(H,105,116)(H,106,122)(H,107,123)(H,108,126)(H,109,130)(H,110,129)(H,111,128)(H,112,136)(H,113,137)/t50-,51+,54-,55-,56+,57+,58-,64-,65-,66+,92-/m0/s1

InChIKey: IZAHAERNXKHNJZ-PWVGHYQSSA-N

Reference

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

PubChem CID: 163192008

LOTUS: LTS0227927

Source

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

Properties Information

Molecule Weight: 1950.357999999999

TPSA？: 776.4700000000004

MolLogP？: 14.325209999999991

Number of H-Donors: 25

Number of H-Acceptors: 24

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi