4-Morpholinecarboxylic acid, (4-(2-(((1,1-dimethylethoxy)carbonyl)amino)-4-((3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-3-hydroxybutyl)phenyl)methyl ester, (2R-(1(2S*,3R*),2R*,3S*))-
Basic information
- CAS
175233-61-1- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(COC(=O)N2CCOCC2)cc1)NC(=O)OC(C)(C)C- InChIKey
DDHUVWKEFAMGRB-SYQUUIDJSA-N- Molecular formula
- C36H54N4O9
- Average molar mass
- 686.8 g/mol
- Monoisotopic mass
- 686.38907931
Names & identifiers
- Preferred name
- 4-Morpholinecarboxylic acid, (4-(2-(((1,1-dimethylethoxy)carbonyl)amino)-4-((3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-3-hydroxybutyl)phenyl)methyl ester, (2R-(1(2S*,3R*),2R*,3S*))-
- IUPAC
- [4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]methyl morpholine-4-carboxylate
- English name
- [1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]- 2-hydroxy-4-[4-[[(4-morpholinylcarbonyl)oxy]methyl]phenyl]butyl]amino] -2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl est er
- Molecular formula
- C36H54N4O9
- Molecular weight
- 686.84
Names & synonyms
175233-61-1DTXSID701699564-Morpholinecarboxylic acid, (4-(2-(((1,1-dimethylethoxy)carbonyl)amino)-4-((3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-3-hydroxybutyl)phenyl)methyl ester, (2R-(1(2S*,3R*),2R*,3S*))-(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(((4-morpholinylcarbonyl)oxy)methyl)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester4-Morpholinecarboxylic acid, [4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxybutyl]phenyl]methyl ester, [2R-[1(2S*,3R*),2R*,3S*]]-RefChem:294843DTXCID6092447[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]methyl morpholine-4-carboxylateBDBM686
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 997
Physicochemical properties
- Boiling point
- 829.62 · 829.620±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.846 · 11.846±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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