Basic information
- CAS
52370-62-4- Standard SMILES
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O- InChIKey
ZAYTZDQQAPUMRU-BZSNNMDCSA-N- Molecular formula
- C27H29N3O10
- Average molar mass
- 555.5 g/mol
- Monoisotopic mass
- 555.18529413
Names & identifiers
- Preferred name
- L-Tyrosine, 3-hydroxy-N-(3-hydroxy-N-(3-hydroxy-L-tyrosyl)-L-tyrosyl)-, hydrate (1:4)
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]amino]-3-(3,4-dihydroxyphenyl)propanoyl]amino]-3-(3,4-dihydroxyphenyl)propanoic acid
Names & synonyms
L-Dopa-L-dopa-L-dopa52370-62-43-Hydroxy-N-(3-hydroxy-N-(3-hydroxy-L-tyrosyl)-L-tyrosyl)-L-tyrosine hydrate (1:4)L-Tyrosine, 3-hydroxy-N-(3-hydroxy-N-(3-hydroxy-L-tyrosyl)-L-tyrosyl)-, hydrate (1:4)RefChem:350982DTXSID20966750N-[(2S)-2-{[(2S)-2-Amino-3-(3,4-dihydroxyphenyl)-1-hydroxypropylidene]amino}-3-(3,4-dihydroxyphenyl)-1-hydroxypropylidene]-3-hydroxy-L-tyrosineN-[2-{[2-Amino-3-(3,4-dihydroxyphenyl)-1-hydroxypropylidene]amino}-3-(3,4-dihydroxyphenyl)-1-hydroxypropylidene]-3-hydroxytyrosine
Database identifiers
- CAS
52370-62-4- PubChem CID
- 3040503
- DTXSID
DTXSID20966750
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 243 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 862
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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