Longibrachin LGA I
AlkaPlorer ID: AK065851
Synonym: ''
IUPAC Name: (2R)-N-[1-[(2R)-1-[1-[2-[(2R)-1-[1-[(2R)-2-[N-[(2R)-1-[1-[1-[(2S)-1-[(2R)-1,5-dihydroxy-1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]imino-5-iminopentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]-2-[[(2R)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2R)-1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]pentanediimidic 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(=N)O)C(O)=N[C@H](CCC(=N)O)C(O)=N[C@H](CO)CC1=CC=CC=C1)C(C)C)C(C)C
InChI: InChI=1S/C90H149N23O24/c1-45(2)41-57(71(126)109-90(25,26)82(137)113-40-30-33-58(113)72(127)103-63(46(3)4)73(128)111-89(23,24)81(136)112-88(21,22)79(134)102-55(35-38-60(92)117)69(124)101-54(34-37-59(91)116)68(123)98-53(44-114)42-52-31-28-27-29-32-52)99-62(119)43-94-75(130)83(11,12)110-74(129)64(47(5)6)104-80(135)87(19,20)108-70(125)56(36-39-61(93)118)100-65(120)48(7)95-77(132)85(15,16)106-67(122)50(9)97-78(133)86(17,18)107-66(121)49(8)96-76(131)84(13,14)105-51(10)115/h27-29,31-32,45-50,53-58,63-64,114H,30,33-44H2,1-26H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,130)(H,95,132)(H,96,131)(H,97,133)(H,98,123)(H,99,119)(H,100,120)(H,101,124)(H,102,134)(H,103,127)(H,104,135)(H,105,115)(H,106,122)(H,107,121)(H,108,125)(H,109,126)(H,110,129)(H,111,128)(H,112,136)/t48-,49-,50+,53+,54-,55+,56-,57-,58-,63-,64-/m1/s1
InChIKey: NXYQVPDHTKILPP-DOHSLUQWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma longibrachiatum | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1937.3189999999995
TPSA？: 791.9900000000004
MolLogP？: 13.684809999999988
Number of H-Donors: 26
Number of H-Acceptors: 24
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|