N-[(Phenylmethoxy)carbonyl]-D-valyl-L-prolyl-N-methylglycine 1,1-dimethylethyl ester
Basic information
- CAS
27483-27-8- Standard SMILES
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N(C)CC(=O)OC(C)(C)C- InChIKey
WRMSUSJJDNBXKE-PZJWPPBQSA-N- Molecular formula
- C25H37N3O6
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.26823591
Names & identifiers
- Preferred name
- N-[(Phenylmethoxy)carbonyl]-D-valyl-L-prolyl-N-methylglycine 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 2-[methyl-[(2S)-1-[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]acetate
Names & synonyms
DTXSID601129091N-[(Phenylmethoxy)carbonyl]-D-valyl-L-prolyl-N-methylglycine 1,1-dimethylethyl ester27483-27-8tert-Butyl N-[(benzyloxy)carbonyl]-D-valyl-L-prolyl-N-methylglycinate
Database identifiers
- CAS
27483-27-8- PubChem CID
- 15923909
- DTXSID
DTXSID601129091
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 727
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Compound notes
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