Loihichelin B
AlkaPlorer ID: AK073265
Synonym: 'Loihichelin B', ''
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]-2-hydroxy-3-[[(3S)-3-hydroxydodecanoyl]amino]-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)C[C@@H](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/C46H77N11O20/c1-4-6-7-8-9-10-11-14-26(62)21-35(64)55-36(37(65)46(74)75)44(72)54-33(24-60)42(70)50-29(17-18-34(47)63)40(68)53-31(22-58)41(69)49-28(15-12-19-56(76)25(3)61)39(67)48-27(5-2)38(66)52-32(23-59)43(71)51-30-16-13-20-57(77)45(30)73/h5,26,28-33,36-37,58-60,62,65,76-77H,4,6-24H2,1-3H3,(H2,47,63)(H,48,67)(H,49,69)(H,50,70)(H,51,71)(H,52,66)(H,53,68)(H,54,72)(H,55,64)(H,74,75)/b27-5+/t26-,28-,29-,30+,31-,32+,33+,36+,37+/m0/s1
InChIKey: PWGQVJAUAUOVSK-AUQSPBDSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Halomonadaceae | Oceanospirillales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1104.179
TPSA？: 524.3300000000002
MolLogP？: 1.7814700000000114
Number of H-Donors: 18
Number of H-Acceptors: 19
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|