WF 10129
AlkaPlorer ID: AK317894
Synonym: N-(N-1-Carboxy-6-hydroxy-3-oxoheptyl)alanyltyrosine
IUPAC Name: 2-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-7-hydroxy-4-oxooctanoic acid
Structure
SMILES: CC(O)CCC(=O)CC(NC(C)C(O)=NC(CC1=CC=C(O)C=C1)C(=O)O)C(=O)O
InChI: InChI=1S/C20H28N2O8/c1-11(23)3-6-15(25)10-17(20(29)30)21-12(2)18(26)22-16(19(27)28)9-13-4-7-14(24)8-5-13/h4-5,7-8,11-12,16-17,21,23-24H,3,6,9-10H2,1-2H3,(H,22,26)(H,27,28)(H,29,30)
InChIKey: VOFCPUVKMIAYMR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Doratomyces | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 424.45000000000016
TPSA？: 176.74999999999997
MolLogP？: 0.8959000000000004
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|