Vanoxonin
AlkaPlorer ID: AK090124
Synonym: None
IUPAC Name: (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S,3R)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxybutanoyl]amino]pentanoic acid
Structure
SMILES: CC(=O)N(O)CCC[C@H](N=C(O)[C@@H](N=C(O)C1=CC=CC(O)=C1O)[C@@H](C)O)C(=O)O
InChI: InChI=1S/C18H25N3O9/c1-9(22)14(20-16(26)11-5-3-7-13(24)15(11)25)17(27)19-12(18(28)29)6-4-8-21(30)10(2)23/h3,5,7,9,12,14,22,24-25,30H,4,6,8H2,1-2H3,(H,19,27)(H,20,26)(H,28,29)/t9-,12+,14+/m1/s1
InChIKey: KCWDMHXDGAWLOA-LQJRIPTKSA-N
Reference
Vanoxonin, a new inhibitor of thymidylate synthetase.
PubChem CID: 163530
LOTUS: LTS0139949
SuperNatural Ⅲ: SN0182146-01
{NPAtlas: NPA020953
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharopolyspora hirsuta | Saccharopolyspora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 427.4100000000002
TPSA？: 203.71
MolLogP？: 0.5793999999999992
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|