Basic information
- CAS
13122-94-6- Standard SMILES
CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O- InChIKey
IMKAKHAILFSCIT-UHFFFAOYSA-N- Molecular formula
- C23H28N2O6
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.19473662
Names & identifiers
- Preferred name
- 3-(4-Hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
- IUPAC
- 3-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
Names & synonyms
13122-94-6NSC3337573-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acidDTXSID40318676NSC-333757N-[(Benzyloxy)carbonyl]isoleucyltyrosine
Database identifiers
- CAS
13122-94-6- PubChem CID
- 333334
- DTXSID
DTXSID40318676
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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