Leucyl-3-epi-deoxynegamycin
AlkaPlorer ID: AK085373
Synonym: None
IUPAC Name: 2-[[[(3S)-6-amino-3-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-methylamino]acetic acid
Structure
SMILES: CC(C)C[C@H](N)C(O)=N[C@@H](CCCN)CC(O)=NN(C)CC(=O)O
InChI: InChI=1S/C15H31N5O4/c1-10(2)7-12(17)15(24)18-11(5-4-6-16)8-13(21)19-20(3)9-14(22)23/h10-12H,4-9,16-17H2,1-3H3,(H,18,24)(H,19,21)(H,22,23)/t11-,12-/m0/s1
InChIKey: DOTQAYWMWCUEBC-RYUDHWBXSA-N
Reference
3-Epi-Deoxynegamycin and leucyl-3-epi-deoxynegamycin produced by Streptomyces.
PubChem CID: 102439777
LOTUS: LTS0093421
{NPAtlas: NPA021108
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 345.4440000000001
TPSA？: 157.76
MolLogP？: 0.7018000000000025
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus aethiops | COS-7 | Activity | nan | None | 10.1021/acsmedchemlett.7b00269 |
| Homo sapiens | NHDF | Activity | nan | None | 10.1021/acsmedchemlett.7b00269 |
| None | Unchecked | FC | 1.11 | None | 10.1021/acsmedchemlett.7b00269 |
| None | Unchecked | FC | 1.3 | None | 10.1021/acsmedchemlett.7b00269 |
| None | Unchecked | FC | 2.25 | None | 10.1021/acsmedchemlett.7b00269 |
| None | Unchecked | Ratio | 1.11 | None | 10.1021/acsmedchemlett.9b00273 |
| None | Unchecked | Ratio | 1.3 | None | 10.1021/acsmedchemlett.9b00273 |
| None | Unchecked | Ratio | 2.3 | None | 10.1021/acsmedchemlett.9b00273 |