Loihichelin A
AlkaPlorer ID: AK055551
Synonym: '', 'Loihichelin A'
IUPAC Name: (2R,3R)-4-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[acetyl(hydroxy)amino]-1-[[(E)-1-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(decanoylamino)-2-hydroxy-4-oxobutanoic acid
Structure
SMILES: C/C=C(/N=C(O)[C@H](CCCN(O)C(C)=O)N=C(O)[C@H](CO)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H](CO)N=C(O)[C@H](N=C(O)CCCCCCCCC)[C@@H](O)C(=O)O)C(O)=N[C@H](CO)C(O)=N[C@@H]1CCCN(O)C1=O
InChI: InChI=1S/C44H73N11O19/c1-4-6-7-8-9-10-11-16-33(61)53-34(35(62)44(71)72)42(69)52-31(23-58)40(67)48-27(17-18-32(45)60)38(65)51-29(21-56)39(66)47-26(14-12-19-54(73)24(3)59)37(64)46-25(5-2)36(63)50-30(22-57)41(68)49-28-15-13-20-55(74)43(28)70/h5,26-31,34-35,56-58,62,73-74H,4,6-23H2,1-3H3,(H2,45,60)(H,46,64)(H,47,66)(H,48,67)(H,49,68)(H,50,63)(H,51,65)(H,52,69)(H,53,61)(H,71,72)/b25-5+/t26-,27-,28+,29-,30+,31+,34+,35+/m0/s1
InChIKey: KCHCYEDSKWZGQO-IHGALNMESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Halomonadaceae | Oceanospirillales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1060.1259999999995
TPSA？: 504.10000000000014
MolLogP？: 2.030470000000011
Number of H-Donors: 17
Number of H-Acceptors: 18
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|