Astin J
AlkaPlorer ID: AK053529
Synonym: Asterinin D
IUPAC Name: 2-[[3-[[3-hydroxy-2-[2-(1H-pyrrole-2-carbonylamino)butanoylamino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoic acid
Structure
SMILES: CCC(N=C(O)CC(N=C(O)C(CO)N=C(O)C(CC)NC(=O)C1=CC=CN1)C1=CC=CC=C1)C(=O)O
InChI: InChI=1S/C25H33N5O7/c1-3-16(28-23(34)18-11-8-12-26-18)22(33)30-20(14-31)24(35)29-19(15-9-6-5-7-10-15)13-21(32)27-17(4-2)25(36)37/h5-12,16-17,19-20,26,31H,3-4,13-14H2,1-2H3,(H,27,32)(H,28,34)(H,29,35)(H,30,33)(H,36,37)
InChIKey: MSWRFBPAGLGJCX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aster tataricus | Aster | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 515.5670000000002
TPSA？: 200.19
MolLogP？: 2.7481
Number of H-Donors: 7
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|