126723-16-8
AlkaPlorer ID: AK038074
Synonym: None
IUPAC Name: (2S)-2-amino-3-[4-[5-[(2S)-2-amino-2-carboxyethyl]-3-[5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid
Structure
SMILES: N[C@@H](CC1=CC=C(OC2=CC(C[C@H](N)C(=O)O)=CC(C3=CC(C[C@H](N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O
InChI: InChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)/t19-,20-,21-/m0/s1
InChIKey: YLKSMWKXSSBSNR-ACRUOGEOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Limnanthes alba | Limnanthes | Limnanthaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 539.5410000000003
TPSA？: 239.64999999999995
MolLogP？: 1.4203
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|