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Basic information
- Standard SMILES
CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)c1ccc(Br)cc1OCc1ccccc1- InChIKey
KVMWQDKQEGHGQP-UHFFFAOYSA-N- Molecular formula
- C25H32BrNO5
- Average molar mass
- 506.4 g/mol
- Monoisotopic mass
- 505.14639
Names & identifiers
- Preferred name
- [(2-Benzyloxy-4-bromo-phenyl)-tert-butoxycarbonylmethyl-amino]-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-(4-bromo-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-phenylmethoxyanilino)acetate
Names & synonyms
KVMWQDKQEGHGQP-UHFFFAOYSA-N[(2-benzyloxy-4-bromo-phenyl)-tert-butoxycarbonylmethyl-amino]-acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 90684652
- Nikkaji
- J1.726.435D
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 576
Related reactions
3 records
Compound notes
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