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Kutzneride 3

AlkaPlorer ID: AK058619

Synonym: None

IUPAC Name: (3R)-3-[(1S,4R,7S,14S,17S,20R,23S,31R)-7-tert-butyl-26,27-dichloro-31-hydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-2,5,8,15,18,21-hexaoxo-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-trien-20-yl]-3-hydroxypropanoic acid

Structure

SMILES: COC[C@@H]1N=C(O)[C@@H]2CCCNN2C(=O)[C@H](C(C)(C)C)OC(=O)[C@@H](C2(C)CC2)N=C(O)[C@@H]2C[C@@]3(O)C4=CC=C(Cl)C(Cl)=C4N[C@H]3N2C(=O)[C@@H]([C@H](O)CC(=O)O)N=C1O

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InChI: InChI=1S/C37H49Cl2N7O12/c1-35(2,3)27-32(54)46-19(7-6-12-40-46)29(51)41-18(15-57-5)28(50)42-25(21(47)13-22(48)49)31(53)45-20(30(52)44-26(33(55)58-27)36(4)10-11-36)14-37(56)16-8-9-17(38)23(39)24(16)43-34(37)45/h8-9,18-21,25-27,34,40,43,47,56H,6-7,10-15H2,1-5H3,(H,41,51)(H,42,50)(H,44,52)(H,48,49)/t18-,19-,20-,21+,25+,26-,27+,34-,37+/m0/s1

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InChIKey: IAEFGGKMOTXDSA-QLXFUGDFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Kutzneria sp. 744 Kutzneria Pseudonocardiaceae Pseudonocardiales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 854.7420000000002

TPSA？: 275.74

MolLogP？: 2.258000000000004

Number of H-Donors: 8

Number of H-Acceptors: 13

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus fumigatus Aspergillus fumigatus Activity nan None 10.1021/np0604331
Calonectria canadiana Calonectria canadiana Inhibition 60.0 % 10.1021/np050378g
Candida albicans Candida albicans Activity nan None 10.1021/np0604331
Drechslera Drechslera MIC 260000.0 nM 10.1021/np0604331
Fusarium culmorum Fusarium culmorum MIC 260000.0 nM 10.1021/np0604331
Ilyonectria destructans Ilyonectria destructans Inhibition 60.0 % 10.1021/np050378g
Pectobacterium carotovorum Pectobacterium carotovorum MIC 12000.0 nM 10.1021/np0604331
Pseudomonas savastanoi pv. savastanoi Pseudomonas savastanoi pv. savastanoi Activity nan None 10.1021/np0604331
Staphylococcus aureus Staphylococcus aureus MIC 9000.0 nM 10.1021/np0604331

Metabolism Information