5-Tert-butyl 1-methyl n-[(benzyloxy)carbonyl]isoleucylvalylglutamate
Basic information
- CAS
4723-53-9- Standard SMILES
CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC)C(C)C- InChIKey
RLQBKWYVOKGNDY-UHFFFAOYSA-N- Molecular formula
- C29H45N3O8
- Average molar mass
- 563.7 g/mol
- Monoisotopic mass
- 563.3206654
Names & identifiers
- Preferred name
- 5-Tert-butyl 1-methyl n-[(benzyloxy)carbonyl]isoleucylvalylglutamate
- IUPAC
- 5-O-tert-butyl 1-O-methyl 2-[[3-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]pentanedioate
Names & synonyms
4723-53-95-tert-butyl 1-methyl n-[(benzyloxy)carbonyl]isoleucylvalylglutamateNSC154982DTXSID90302904NSC-154982
Database identifiers
- CAS
4723-53-9- PubChem CID
- 290778
- DTXSID
DTXSID90302904
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 849
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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