(2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-[(3S)-3-carbamimidamido-5-(methylamino)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid
AlkaPlorer ID: AK020975
Synonym: None
IUPAC Name: (2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-[[(3S)-3-(diaminomethylideneamino)-5-(methylamino)pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylic acid
Structure
SMILES: CNCC[C@@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)NC(=N)N
InChI: InChI=1S/C17H26N8O5/c1-21-6-4-9(22-16(19)20)8-12(26)23-10-2-3-13(30-14(10)15(27)28)25-7-5-11(18)24-17(25)29/h2-3,5,7,9-10,13-14,21H,4,6,8H2,1H3,(H,23,26)(H,27,28)(H2,18,24,29)(H4,19,20,22)/t9-,10-,13+,14-/m0/s1
InChIKey: VLSNCRSMCQBBPG-ZNIXKSQXSA-N
Reference
Cytosine glycosides from Streptomyces griseochromogenes
PubChem CID: 163018417
LOTUS: LTS0244016
SuperNatural Ⅲ: SN0393682-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces griseochromogenes | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 422.44600000000014
TPSA？: 210.47
MolLogP？: -2.3002299999999964
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|