Antibiotic NAI 414A; 3''',5'''-Didechloro, 3''',4'''-dibromo
AlkaPlorer ID: AK288548
Synonym: Antibiotic NAI 414D, NAI 414D
IUPAC Name: 17-[5-[(3,4-dibromo-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(Br)=CN6)C(C)O5)C(C)CCC42)CCCCC=CC3(C)C=C1C(=O)O
InChI: InChI=1S/C44H56Br2N2O10/c1-6-24-19-44-38(51)32(41(55)58-44)37(50)43(7-2)25(12-10-8-9-11-17-42(44,5)20-27(24)40(53)54)14-15-26-28(43)16-13-22(3)36(26)57-31-18-30(49)34(23(4)56-31)48-39(52)35-33(46)29(45)21-47-35/h11,14-15,17,20-26,28,30-31,34,36,47,49,51H,6-10,12-13,16,18-19H2,1-5H3,(H,48,52)(H,53,54)
InChIKey: KOIIPVLVZPNZIH-UHFFFAOYSA-N
Reference
COCONUT: CNP0216985.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoallomurus sp. ID145414 | Actinoallomurus | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 932.7439999999996
TPSA？: 187.97
MolLogP？: 8.592800000000008
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|