69281-11-4
AlkaPlorer ID: AK070642
Synonym: None
IUPAC Name: 2-[[(5R)-5-hydroxy-5-(hydroxymethyl)-3-[[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxycyclohex-2-en-1-ylidene]amino]acetic acid
Structure
SMILES: COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@H](C)CO
InChI: InChI=1S/C13H22N2O6/c1-8(6-16)15-10-4-13(20,7-17)3-9(12(10)21-2)14-5-11(18)19/h8,14,16-17,20H,3-7H2,1-2H3,(H,18,19)/b15-10+/t8-,13+/m1/s1
InChIKey: NKJVQFFOGWSVTJ-HACWYEHISA-N
Reference
LOTUS: LTS0038061
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Patiria pectinifera | Patiria | Asterinidae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 302.32700000000006
TPSA？: 131.61
MolLogP？: -1.142399999999999
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|