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Kutzneride 5

AlkaPlorer ID: AK062615

Synonym: None

IUPAC Name: (3R)-3-[(1S,4R,7S,14S,17S,20R,23S,31R)-26,27-dichloro-31-hydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-2,5,8,15,18,21-hexaoxo-7-propan-2-yl-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)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/C36H47Cl2N7O12/c1-15(2)26-32(53)45-19(6-5-11-39-45)29(50)40-18(14-56-4)28(49)41-25(21(46)12-22(47)48)31(52)44-20(30(51)43-27(33(54)57-26)35(3)9-10-35)13-36(55)16-7-8-17(37)23(38)24(16)42-34(36)44/h7-8,15,18-21,25-27,34,39,42,46,55H,5-6,9-14H2,1-4H3,(H,40,50)(H,41,49)(H,43,51)(H,47,48)/t18-,19-,20-,21+,25+,26-,27-,34-,36+/m0/s1

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InChIKey: NIODADNQNLLDEA-MPWFALQJSA-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: 840.7150000000001

TPSA？: 275.74

MolLogP？: 1.8679000000000048

Number of H-Donors: 8

Number of H-Acceptors: 13

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Drechslera Drechslera MIC 240000.0 nM 10.1021/np0604331
Fusarium culmorum Fusarium culmorum MIC 240000.0 nM 10.1021/np0604331
Pectobacterium carotovorum Pectobacterium carotovorum MIC 120000.0 nM 10.1021/np0604331
Staphylococcus aureus Staphylococcus aureus MIC 120000.0 nM 10.1021/np0604331

Metabolism Information