N-tert-Butyloxycarbonyl-prolyl-alanyl-alanyl-methylamide
Basic information
- CAS
103137-93-5- Standard SMILES
CN[C@@H](C)C(=O)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C- InChIKey
CERPSWNFVMCZAO-TUAOUCFPSA-N- Molecular formula
- C17H30N4O5
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.22162007
Names & identifiers
- Preferred name
- N-tert-Butyloxycarbonyl-prolyl-alanyl-alanyl-methylamide
- IUPAC
- tert-butyl (2S)-2-[[(2R)-1-[[(2S)-2-(methylamino)propanoyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
- English name
- N-tert-butyloxycarbonyl-prolyl-alanyl-alanyl-methylamide
- Molecular formula
- C17H30N4O5
- Molecular weight
- 370.44
Names & synonyms
BPAAM103137-93-5N-tert-Butyloxycarbonyl-prolyl-alanyl-alanyl-methylamideN-t-Boc-pro-ala-ala-nhch3RefChem:164247tert-butyl (2S)-2-[[(2R)-1-[[(2S)-2-(methylamino)propanoyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylateSCHEMBL30917367DTXSID60908210L-Alaninamide, 1-((1,1-dimethylethoxy)carbonyl)-L-prolyl-D-alanyl-N-methyl-(2S)-1-(tert-Butoxycarbonyl)-N-[(2R)-1-{[(2S)-1-hydroxy-2-(methylamino)propylidene]amino}-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid1-(tert-Butoxycarbonyl)-N-(1-{[1-hydroxy-2-(methylamino)propylidene]amino}-1-oxopropan-2-yl)pyrrolidine-2-carboximidic acid
Database identifiers
- CAS
103137-93-5- PubChem CID
- 128236
- DTXSID
DTXSID60908210
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Boiling point
- 658.815 · 658.815±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.23 · 13.230±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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