Isotrityrosine
AlkaPlorer ID: AK303129
Synonym: None
IUPAC Name: 2-amino-3-[3-[5-(2-amino-2-carboxyethyl)-2-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenoxy]phenyl]-4-hydroxyphenyl]propanoic acid
Structure
SMILES: NC(CC1=CC=C(O)C(OC2=CC=C(CC(N)C(=O)O)C=C2C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O
InChI: InChI=1S/C27H29N3O9/c28-18(25(33)34)9-13-1-4-21(31)16(7-13)17-8-14(10-19(29)26(35)36)3-6-23(17)39-24-12-15(2-5-22(24)32)11-20(30)27(37)38/h1-8,12,18-20,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)
InChIKey: RSHIWRXCRSATFW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ascaris lumbricoides | Ascaris | Ascarididae | Rhabditida | Chromadorea | Nematoda | Metazoa | Eukaryota |
| Ascaris suum | Ascaris | Ascarididae | Rhabditida | Chromadorea | Nematoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 539.5410000000003
TPSA？: 239.64999999999995
MolLogP？: 1.4202999999999997
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|