5-Tert-butyl 1-methyl n-[(benzyloxy)carbonyl]valylglutamate
Basic information
- CAS
4902-24-3- Standard SMILES
COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C- InChIKey
HGLSLBNWAQWNLK-UHFFFAOYSA-N- Molecular formula
- C23H34N2O7
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.23660143
Names & identifiers
- Preferred name
- 5-Tert-butyl 1-methyl n-[(benzyloxy)carbonyl]valylglutamate
- IUPAC
- 5-O-tert-butyl 1-O-methyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanedioate
Names & synonyms
4902-24-35-tert-butyl 1-methyl n-[(benzyloxy)carbonyl]valylglutamateNSC154981DTXSID30302903NSC-154981
Database identifiers
- CAS
4902-24-3- PubChem CID
- 290777
- DTXSID
DTXSID30302903
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 637
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Compound notes
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