Antibiotic NAI 414A
AlkaPlorer ID: AK288545
Synonym: NAI 414A
IUPAC Name: 17-[5-[(3,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-hydroxy-6-methyloxan-2-yl]oxy-3,22-diethyl-23-hydroxy-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=C(Cl)N6)C(C)O5)C(C)CCC42)CCCCC=CC3(C)C=C1C(=O)O
InChI: InChI=1S/C44H56Cl2N2O10/c1-6-24-20-44-38(51)33(41(55)58-44)37(50)43(7-2)25(12-10-8-9-11-17-42(44,5)21-27(24)40(53)54)14-15-26-28(43)16-13-22(3)36(26)57-32-19-30(49)34(23(4)56-32)48-39(52)35-29(45)18-31(46)47-35/h11,14-15,17-18,21-26,28,30,32,34,36,47,49,51H,6-10,12-13,16,19-20H2,1-5H3,(H,48,52)(H,53,54)
InChIKey: ZZPWOFUTQRYCKE-UHFFFAOYSA-N
Reference
COCONUT: CNP0353197.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoallomurus sp. ID145414 | Actinoallomurus | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 843.8419999999998
TPSA？: 184.48
MolLogP？: 7.799800000000008
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|