Crochelin D
AlkaPlorer ID: AK110831
Synonym: None
IUPAC Name: (2R,3S)-4-[[(2S)-4-amino-1-[[(2S)-1-(4-aminobutylamino)-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[4-(dec-5-enoylamino)-3,5-dihydroxypentanoyl]amino]-3-hydroxypropanoyl]amino]-2-hydroxy-4-oxobutanoic acid
Structure
SMILES: CCCCC=CCCCC(=O)NC(CO)C(O)CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCN(O)C=O)C(=O)NCCCCN)[C@@H](O)C(=O)O
InChI: InChI=1S/C36H65N9O14/c1-2-3-4-5-6-7-8-13-28(50)40-25(20-46)27(49)19-29(51)41-26(21-47)34(55)44-30(31(52)36(57)58)35(56)43-24(14-16-38)33(54)42-23(12-11-18-45(59)22-48)32(53)39-17-10-9-15-37/h5-6,22-27,30-31,46-47,49,52,59H,2-4,7-21,37-38H2,1H3,(H,39,53)(H,40,50)(H,41,51)(H,42,54)(H,43,56)(H,44,55)(H,57,58)/t23-,24-,25?,26-,27?,30-,31+/m0/s1
InChIKey: BMJKETJRCKATKC-YSUDGMSFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Azotobacter chroococcum | Azotobacter | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 847.9649999999998
TPSA？: 385.4
MolLogP？: -4.660100000000017
Number of H-Donors: 14
Number of H-Acceptors: 15
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|