Crochelin A
AlkaPlorer ID: AK110813
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-amino-3,5-dihydroxypentanoyl)amino]-3-hydroxypropanoyl]amino]-2-hydroxy-4-oxobutanoic acid
Structure
SMILES: NCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CC(O)C(N)CO)[C@@H](O)C(=O)O
InChI: InChI=1S/C26H49N9O13/c27-6-1-2-8-30-22(42)15(4-3-9-35(48)13-38)32-23(43)16(5-7-28)33-25(45)20(21(41)26(46)47)34-24(44)17(12-37)31-19(40)10-18(39)14(29)11-36/h13-18,20-21,36-37,39,41,48H,1-12,27-29H2,(H,30,42)(H,31,40)(H,32,43)(H,33,45)(H,34,44)(H,46,47)/t14?,15-,16-,17-,18?,20-,21+/m0/s1
InChIKey: GWZSQVKACWZVRA-AAYIJRFMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Azotobacter chroococcum | Azotobacter | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 695.7280000000003
TPSA？: 382.3200000000001
MolLogP？: -7.734300000000019
Number of H-Donors: 14
Number of H-Acceptors: 15
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|