Tuberactinomycin O
AlkaPlorer ID: AK031522
Synonym: None
IUPAC Name: (3S)-3,6-diamino-N-[(3R,6E,9S,12R,15R)-3-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide
Structure
SMILES: N=C(O)N/C=C1/N=C(O)[C@H](CO)N=C(O)[C@@H](CO)N=C(O)[C@H](N=C(O)C[C@@H](N)CCCN)CN=C(O)[C@@H]([C@@H]2CCNC(=N)N2)N=C1O
InChI: InChI=1S/C25H43N13O9/c26-4-1-2-11(27)6-17(41)33-13-7-31-23(46)18(12-3-5-30-24(28)37-12)38-20(43)14(8-32-25(29)47)34-21(44)15(9-39)36-22(45)16(10-40)35-19(13)42/h8,11-13,15-16,18,39-40H,1-7,9-10,26-27H2,(H,31,46)(H,33,41)(H,34,44)(H,35,42)(H,36,45)(H,38,43)(H3,28,30,37)(H3,29,32,47)/b14-8+/t11-,12-,13+,15-,16+,18+/m0/s1
InChIKey: IJLXXTHFOUHWGE-UYVOBHQYSA-N
Reference
STUDIES ON TUBERACTINOMYCIN. III
PubChem CID: 139589198
LOTUS: LTS0169764
{NPAtlas: NPA021188
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces cinnamoneus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 669.7010000000001
TPSA？: 392.06
MolLogP？: -2.5356599999999947
Number of H-Donors: 16
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|