Cichofactin B
AlkaPlorer ID: AK015971
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-(3-hydroxydodecanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
Structure
SMILES: CCCCCCCCCC(O)CC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(=O)O)C(C)C
InChI: InChI=1S/C57H104N10O13/c1-14-15-16-17-18-19-20-21-38(68)31-48(71)60-41(26-32(2)3)52(74)64-43(28-34(6)7)54(76)61-39(22-24-46(58)69)50(72)63-42(27-33(4)5)53(75)62-40(23-25-47(59)70)51(73)67-49(37(12)13)56(78)65-44(29-35(8)9)55(77)66-45(57(79)80)30-36(10)11/h32-45,49,68H,14-31H2,1-13H3,(H2,58,69)(H2,59,70)(H,60,71)(H,61,76)(H,62,75)(H,63,72)(H,64,74)(H,65,78)(H,66,77)(H,67,73)(H,79,80)/t38?,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
InChIKey: GGJSRVIYGDLBIE-DCXAFLOBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas cichorii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1137.5159999999994
TPSA？: 406.41
MolLogP？: 12.08093999999999
Number of H-Donors: 14
Number of H-Acceptors: 12
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|