Nocobactin NA 10152B
AlkaPlorer ID: AK126643
Synonym: None
IUPAC Name: [(2R,3S)-1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxododecan-3-yl] (2S)-6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate
Structure
SMILES: CCCCCCCCC[C@H](OC(=O)[C@H](CCCCN(O)C(C)=O)N=C(O)C1=C(C)OC(C2=CC=CC=C2O)=N1)[C@@H](C)C(O)=N[C@@H]1CCCCN(O)C1=O
InChI: InChI=1S/C38H57N5O10/c1-5-6-7-8-9-10-11-22-32(25(2)34(46)39-29-19-14-17-24-43(51)37(29)48)53-38(49)30(20-15-16-23-42(50)27(4)44)40-35(47)33-26(3)52-36(41-33)28-18-12-13-21-31(28)45/h12-13,18,21,25,29-30,32,45,50-51H,5-11,14-17,19-20,22-24H2,1-4H3,(H,39,46)(H,40,47)/t25-,29-,30+,32+/m1/s1
InChIKey: TUZBABROGPEBNJ-OXYYHEDDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 743.8989999999999
TPSA？: 218.82
MolLogP？: 6.852220000000007
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|