Antibiotic NAI 414A; 3''',5'''-Didechloro, 3'''-bromo
AlkaPlorer ID: AK288547
Synonym: Antibiotic NAI 414C, NAI 414C
IUPAC Name: 17-[5-[(3-bromo-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(N=C(O)C6=C(Br)C=CN6)C(C)O5)C(C)CCC42)CCCCC=CC3(C)C=C1C(=O)O
InChI: InChI=1S/C44H57BrN2O10/c1-6-25-21-44-38(50)33(41(54)57-44)37(49)43(7-2)26(12-10-8-9-11-18-42(44,5)22-28(25)40(52)53)14-15-27-29(43)16-13-23(3)36(27)56-32-20-31(48)34(24(4)55-32)47-39(51)35-30(45)17-19-46-35/h11,14-15,17-19,22-27,29,31-32,34,36,46,48,50H,6-10,12-13,16,20-21H2,1-5H3,(H,47,51)(H,52,53)
InChIKey: QZQXJOUQOTTXFH-UHFFFAOYSA-N
Reference
COCONUT: CNP0077766.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoallomurus sp. ID145414 | Actinoallomurus | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 853.8479999999997
TPSA？: 187.97
MolLogP？: 7.830300000000008
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|