(2R)-2-[(2S)-2-[(2S)-2-amino-6-{2-[(2,3-dihydroxyphenyl)formamido]acetamido}hexanamido]-6-[(2,3-dihydroxyphenyl)formamido]hexanamido]-3-[(3S)-3H-indol-3-yl]propanoic acid
AlkaPlorer ID: AK555975
Synonym: None
IUPAC Name: 2-[[2-[[2-amino-6-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]hexanoyl]amino]-6-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-(3H-indol-3-yl)propanoic acid
Structure
SMILES: NC(CCCCN=C(O)CN=C(O)C1=CC=CC(O)=C1O)C(O)=NC(CCCCN=C(O)C1=CC=CC(O)=C1O)C(O)=NC(CC1C=NC2=CC=CC=C21)C(=O)O
InChI: InChI=1S/C39H47N7O11/c40-26(12-3-5-17-41-32(49)21-44-36(53)25-11-8-16-31(48)34(25)51)37(54)45-28(14-4-6-18-42-35(52)24-10-7-15-30(47)33(24)50)38(55)46-29(39(56)57)19-22-20-43-27-13-2-1-9-23(22)27/h1-2,7-11,13,15-16,20,22,26,28-29,47-48,50-51H,3-6,12,14,17-19,21,40H2,(H,41,49)(H,42,52)(H,44,53)(H,45,54)(H,46,55)(H,56,57)
InChIKey: WCDHUPIKYZQUGF-UHFFFAOYSA-N
Reference
Amonabactin: Characterization of a Series of Siderophores from Aeromonas hydrophila
PubChem CID: 162957407
LOTUS: LTS0060335
COCONUT: CNP0228353.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aeromonas hydrophila | Aeromonas | Aeromonadaceae | Aeromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 789.8430000000003
TPSA？: 319.55
MolLogP？: 5.067400000000005
Number of H-Donors: 11
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|