Kutzneride 6
AlkaPlorer ID: AK062626
Synonym: None
IUPAC Name: (3R)-3-[(1S,4R,7S,14S,17S,20R,23S,31R)-7-tert-butyl-26,27-dichloro-12,31-dihydroxy-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-10,25(30),26,28-tetraen-20-yl]-3-hydroxypropanoic acid
Structure
SMILES: COC[C@@H]1N=C(O)[C@@H]2CC(O)C=NN2C(=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
InChI: InChI=1S/C37H47Cl2N7O13/c1-35(2,3)27-32(55)46-19(10-15(47)13-40-46)29(52)41-18(14-58-5)28(51)42-25(21(48)11-22(49)50)31(54)45-20(30(53)44-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(38)23(39)24(16)43-34(37)45/h6-7,13,15,18-21,25-27,34,43,47-48,57H,8-12,14H2,1-5H3,(H,41,52)(H,42,51)(H,44,53)(H,49,50)/t15?,18-,19-,20-,21+,25+,26-,27+,34-,37+/m0/s1
InChIKey: ZIRIUMCQSORLJA-RMDRTFJASA-N
Reference
Low-Abundance Kutznerides from <i>Kutzneria</i> sp. 744
PubChem CID: 16099517
LOTUS: LTS0038450
{NPAtlas: NPA005463
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kutzneria sp. 744 | Kutzneria | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 868.7250000000003
TPSA？: 296.3
MolLogP？: 1.710000000000004
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|