Nocobactin NA 10152A
AlkaPlorer ID: AK126634
Synonym: None
IUPAC Name: [(2R,3S)-1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxodecan-3-yl] (2S)-6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate
Structure
SMILES: CCCCCCC[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/C36H53N5O10/c1-5-6-7-8-9-20-30(23(2)32(44)37-27-17-12-15-22-41(49)35(27)46)51-36(47)28(18-13-14-21-40(48)25(4)42)38-33(45)31-24(3)50-34(39-31)26-16-10-11-19-29(26)43/h10-11,16,19,23,27-28,30,43,48-49H,5-9,12-15,17-18,20-22H2,1-4H3,(H,37,44)(H,38,45)/t23-,27-,28+,30+/m1/s1
InChIKey: YOKHMQIESLOQMH-WAXSWYNISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 715.8449999999999
TPSA？: 218.82
MolLogP？: 6.072020000000005
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|