Brasilibactin A
AlkaPlorer ID: AK055486
Synonym: None
IUPAC Name: [1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxooctadecan-3-yl] (2R)-6-[formyl(hydroxy)amino]-2-[[(4R)-2-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate
Structure
SMILES: CCCCCCCCCCCCCCCC(OC(=O)[C@@H](CCCCN(O)C=O)N=C(O)[C@H]1COC(C2=CC=C(O)C=C2)=N1)C(C)C(O)=N[C@@H]1CCCCN(O)C1=O
InChI: InChI=1S/C42H67N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-37(31(2)38(50)43-34-20-17-19-28-47(55)41(34)52)57-42(53)35(21-16-18-27-46(54)30-48)44-39(51)36-29-56-40(45-36)32-23-25-33(49)26-24-32/h23-26,30-31,34-37,49,54-55H,3-22,27-29H2,1-2H3,(H,43,50)(H,44,51)/t31?,34-,35-,36-,37?/m1/s1
InChIKey: GUHXRIXCLRPVPK-JDWUKTJXSA-N
Reference
Brasilibactin A, a Cytotoxic Compound from Actinomycete <i>Nocardia </i><i>b</i><i>rasiliensis</i>
PubChem CID: 139584164
LOTUS: LTS0141342
{NPAtlas: NPA003850
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia brasiliensis | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 802.023
TPSA？: 214.38
MolLogP？: 7.636600000000008
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|