Quinaldopeptin
AlkaPlorer ID: AK312137
Synonym: BMY 28662, BU 3845T, Antibiotic BMY 28662, Antibiotic BU 3845T
IUPAC Name: 3-hydroxy-N-[27-[(3-hydroxyquinoline-2-carbonyl)amino]-4,15,28,39-tetramethyl-2,6,13,16,19,26,30,37,40,43-decaoxo-1,5,12,15,18,25,29,36,39,42-decazapentacyclo[42.4.0.07,12.020,25.031,36]octatetracontan-3-yl]quinoline-2-carboxamide
Structure
SMILES: CC1N=C(O)C2CCCCN2C(=O)CN(C)C(=O)CN=C(O)C2CCCCN2C(=O)C(NC(=O)C2=NC3=CC=CC=C3C=C2O)C(C)N=C(O)C2CCCCN2C(=O)CN(C)C(=O)CN=C(O)C2CCCCN2C(=O)C1NC(=O)C1=NC2=CC=CC=C2C=C1O
InChI: InChI=1S/C62H78N14O14/c1-35-51(69-59(87)53-45(77)29-37-17-5-7-19-39(37)67-53)61(89)75-27-15-11-21-41(75)55(83)63-31-47(79)72(4)34-50(82)74-26-14-10-24-44(74)58(86)66-36(2)52(70-60(88)54-46(78)30-38-18-6-8-20-40(38)68-54)62(90)76-28-16-12-22-42(76)56(84)64-32-48(80)71(3)33-49(81)73-25-13-9-23-43(73)57(85)65-35/h5-8,17-20,29-30,35-36,41-44,51-52,77-78H,9-16,21-28,31-34H2,1-4H3,(H,63,83)(H,64,84)(H,65,85)(H,66,86)(H,69,87)(H,70,88)
InChIKey: KIPSHYPQCJYONU-UHFFFAOYSA-N
Reference
Structure of Actinotetraose Hexatiglate, a Unique Glucotetraose from an Actinomycete Bacterium.
PubChem CID: 495025
CAS: 130743-07-6
LOTUS: LTS0097432
COCONUT: CNP0256209.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces luteosporeus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1243.3899999999996
TPSA？: 376.66
MolLogP？: 3.149000000000014
Number of H-Donors: 8
Number of H-Acceptors: 16
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|