Basic information
- CAS
23018-11-3- Standard SMILES
CC(O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)O- InChIKey
GIYVFJXSCLFRIL-UHFFFAOYSA-N- Molecular formula
- C21H24N2O7
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.15835111
Names & identifiers
- Preferred name
- 2-[2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-propanoylamino]-3-hydroxy-butyric acid
- IUPAC
- 3-hydroxy-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
Names & synonyms
NSC33373123018-11-3CHEMBL173637DTXSID50318662N-[(Benzyloxy)carbonyl]tyrosylthreonineNSC-3337312-[2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-propanoylamino]-3-hydroxy-butyric acidDS-0048762-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoic acid3-Hydroxy-2-[[3-(4-hydroxyphenyl)-2-phenylmethoxycarbonylamino-propanoyl]amino]butanoic acid
Database identifiers
- CAS
23018-11-3- PubChem CID
- 333313
- DTXSID
DTXSID50318662- ChEMBL
CHEMBL173637
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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