Tuberactinomycin N
AlkaPlorer ID: AK013507
Synonym: None
IUPAC Name: (3S,4R)-3,6-diamino-N-[(3S,6E,9R,12S,15S)-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]-4-hydroxyhexanamide
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)[C@H](O)CCN)CN=C(O)[C@H]([C@@H]2CCNC(=N)N2)N=C1O
InChI: InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/b13-7+/t10-,11-,12-,14+,15-,16+,18-/m0/s1
InChIKey: HPWIIERXAFODPP-ITQGCMRGSA-N
Reference
STUDIES ON TUBERACTINOMYCIN. II
PubChem CID: 139589204
LOTUS: LTS0201555
{NPAtlas: NPA021196
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces cinnamoneus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 685.7000000000002
TPSA？: 412.29
MolLogP？: -3.564859999999997
Number of H-Donors: 17
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|