Basic information
- CAS
107500-78-7- Standard SMILES
COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C- InChIKey
AMTGIUTVKHNYTR-MUGJNUQGSA-N- Molecular formula
- C26H40N4O7
- Average molar mass
- 520.6 g/mol
- Monoisotopic mass
- 520.28969963
Names & identifiers
- Preferred name
- tert-Butyloxycarbonylprolyl-prolyl-prolyl-proline methyl ester
- IUPAC
- methyl (2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
- English name
- tert-butyloxycarbonylprolyl-prolyl-prolyl-proline methyl ester
- Molecular formula
- C26H40N4O7
- Molecular weight
- 520.62
Names & synonyms
Boc-(pro-pro)2-och3tert-Butyloxycarbonylprolyl-prolyl-prolyl-proline methyl ester107500-78-7DTXSID40148071RefChem:188284DTXCID60705621-(1-(1-(1-((1,1-Dimethylethoxy)carbonyl)-D-prolyl)-L-prolyl)-D-prolyl)-L-proline methyl esterMethyl 1-(tert-butoxycarbonyl)-L-prolyl-L-prolyl-L-prolyl-L-prolinateL-Proline, 1-(1-(1-(1-((1,1-dimethylethoxy)carbonyl)-D-prolyl)-L-prolyl)-D-prolyl)-, methyl esterL-Proline, 1-[(1,1-dimethylethoxy)carbonyl]-D-prolyl-L-prolyl-D-prolyl-, methyl ester
Database identifiers
- CAS
107500-78-7- PubChem CID
- 129877
- DTXSID
DTXSID40148071
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 932
Physicochemical properties
- Boiling point
- 714.4 · 714.4±60.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- -2.2 · -2.20±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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