(E)-2-[(E)-{1-hydroxy-2-[(E)-{1-hydroxy-2-[(E)-{1-hydroxy-2-[(E)-(hydroxymethylidene)amino]-3-methylbutylidene}amino]ethylidene}amino]propylidene}amino]-N-{1-[(E)-{1-[(E)-{1-[(E)-{1-[(Z)-{1-[(Z)-{1-[(Z)-{1-[(Z)-{1-[(Z)-{1-[(Z)-{1-[(Z)-{1-[(Z)-(2-hydroxyethyl)-C-hydroxycarbonimidoyl]-2-(1H-indol-3-yl)ethyl}-C-hydroxycarbonimidoyl]-3-methylbutyl}-C-hydroxycarbonimidoyl]-2-(1H-indol-3-yl)ethyl}-C-hydroxycarbonimidoyl]-3-methylbutyl}-C-hydroxycarbonimidoyl]-2-(1H-indol-3-yl)ethyl}-C-hydroxycarbonimidoyl]-3-methylbutyl}-C-hydroxycarbonimidoyl]-2-(1H-indol-3-yl)ethyl}-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl]ethyl}-4-methylpentanimidic acid
AlkaPlorer ID: AK067519
Synonym: None
IUPAC Name: (2R)-N-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2R)-1-hydroxy-1-[(2S)-1-hydroxy-1-(2-hydroxyethylimino)-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-4-methylpentan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]imino-3-methylbutan-2-yl]iminopropan-2-yl]-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(hydroxymethylideneamino)-3-methylbutylidene]amino]ethylidene]amino]propylidene]amino]-4-methylpentanimidic acid
Structure
SMILES: CC(C)C[C@@H](N=C(O)[C@H](C)N=C(O)CN=C(O)[C@@H](N=CO)C(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=NCCO)C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83-,84+,85-/m0/s1
InChIKey: ZWCXYZRRTRDGQE-SORVKSEFSA-N
Reference
Draft Genome Sequence of Brevibacillus brevis Strain X23, a Biocontrol Agent against Bacterial Wilt
PubChem CID: 163192071
CAS: 1405-97-6
LOTUS: LTS0244741
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brevibacillus brevis | Brevibacillus | Paenibacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1882.3319999999992
TPSA？: 604.8300000000002
MolLogP？: 17.817099999999996
Number of H-Donors: 21
Number of H-Acceptors: 17
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|