Katanosin B
AlkaPlorer ID: AK125209
Synonym: None
IUPAC Name: (2R)-2-amino-N-[(2S)-1-[[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-18-[3-(diaminomethylideneamino)propyl]-12-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-24-[(1R)-1-hydroxy-2-methylpropyl]-21-(2-methylbutyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-15-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
Structure
SMILES: CCC(C)C[C@@H]1N=C(O)[C@H]([C@H](O)C(C)C)N=C(O)[C@@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](N)CC(C)C)[C@@H](C2=CC=CC=C2)OC(=O)[C@H](CO)N=C(O)[C@H]([C@H](O)C(=N)O)N=C(O)CN=C(O)[C@H]([C@H](C)O)N=C(O)[C@H](C(C)C)N=C(O)[C@@H](CCCNC(=N)N)N=C1O
InChI: InChI=1S/C58H97N15O17/c1-12-30(10)23-36-50(82)65-34(19-16-20-63-58(61)62)49(81)70-39(28(6)7)53(85)71-40(31(11)75)52(84)64-24-38(76)69-42(45(78)47(60)79)55(87)68-37(25-74)57(89)90-46(32-17-14-13-15-18-32)43(56(88)72-41(54(86)67-36)44(77)29(8)9)73-51(83)35(22-27(4)5)66-48(80)33(59)21-26(2)3/h13-15,17-18,26-31,33-37,39-46,74-75,77-78H,12,16,19-25,59H2,1-11H3,(H2,60,79)(H,64,84)(H,65,82)(H,66,80)(H,67,86)(H,68,87)(H,69,76)(H,70,81)(H,71,85)(H,72,88)(H,73,83)(H4,61,62,63)/t30?,31-,33+,34+,35-,36-,37-,39-,40-,41-,42-,43-,44+,45-,46+/m0/s1
InChIKey: NVTYPLQREHKFOG-LTAFLNRISA-N
Reference
Isolation and characterization of katanosins A and B.
PubChem CID: 139589288
LOTUS: LTS0093383
{NPAtlas: NPA021352
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cytophaga sp. | Cytophaga | Cytophagaceae | Cytophagales | Cytophagia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 1276.5020000000006
TPSA？: 565.1200000000002
MolLogP？: 4.228040000000011
Number of H-Donors: 20
Number of H-Acceptors: 19
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|