Antibiotic NAI 414A; 4'''-Chloro
AlkaPlorer ID: AK288546
Synonym: Antibiotic NAI 414B, NAI 414B
IUPAC Name: 3,22-diethyl-23-hydroxy-17-[4-hydroxy-6-methyl-5-[(3,4,5-trichloro-1H-pyrrole-2-carbonyl)amino]oxan-2-yl]oxy-6,18-dimethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,14,23-tetraene-4-carboxylic acid
Structure
SMILES: CCC1CC23OC(=O)C(=C2O)C(=O)C2(CC)C(C=CC4C(OC5CC(O)C(NC(=O)C6=C(Cl)C(Cl)=C(Cl)N6)C(C)O5)C(C)CCC42)CCCCC=CC3(C)C=C1C(=O)O
InChI: InChI=1S/C44H55Cl3N2O10/c1-6-23-19-44-37(52)30(41(56)59-44)36(51)43(7-2)24(12-10-8-9-11-17-42(44,5)20-26(23)40(54)55)14-15-25-27(43)16-13-21(3)35(25)58-29-18-28(50)33(22(4)57-29)49-39(53)34-31(45)32(46)38(47)48-34/h11,14-15,17,20-25,27-29,33,35,48,50,52H,6-10,12-13,16,18-19H2,1-5H3,(H,49,53)(H,54,55)
InChIKey: ZBGQPVWPNWNFAG-UHFFFAOYSA-N
Reference
COCONUT: CNP0102632.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoallomurus sp. ID145414 | Actinoallomurus | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 878.2869999999997
TPSA？: 184.48
MolLogP？: 8.453200000000008
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|