Heterobactin B
AlkaPlorer ID: AK328372
Synonym: None
IUPAC Name: N-[(4R)-4-amino-5-[[2-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide
Structure
SMILES: N[C@H](CCCNC(=O)C1=CC=CC(O)=C1O)C(=O)NCC(=O)N[C@H]1CCCN(O)C1=O
InChI: InChI=1S/C19H27N5O7/c20-12(5-2-8-21-17(28)11-4-1-7-14(25)16(11)27)18(29)22-10-15(26)23-13-6-3-9-24(31)19(13)30/h1,4,7,12-13,25,27,31H,2-3,5-6,8-10,20H2,(H,21,28)(H,22,29)(H,23,26)/t12-,13+/m1/s1
InChIKey: KZSYVXPBQDRSRR-OLZOCXBDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodococcus erythropolis | Rhodococcus | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 437.45300000000026
TPSA？: 194.32
MolLogP？: -1.4522999999999973
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|