(S)-4-tert-Butyl 1-(4-nitrophenyl) 2-(((benzyloxy)carbonyl)amino)succinate
Basic information
- CAS
17543-17-8- Standard SMILES
CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
KAURUWJRWPNSJD-SFHVURJKSA-N- Molecular formula
- C22H24N2O8
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.15326573
Names & identifiers
- Preferred name
- (S)-4-tert-Butyl 1-(4-nitrophenyl) 2-(((benzyloxy)carbonyl)amino)succinate
- IUPAC
- 4-O-tert-butyl 1-O-(4-nitrophenyl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate
- English name
- Z-Asp(OtBu)-ONp
- Molecular formula
- C22H24N2O8
- Molecular weight
- 444.43
Names & synonyms
17543-17-8Z-ASP(OTBU)-ONP(S)-4-tert-Butyl 1-(4-nitrophenyl) 2-(((benzyloxy)carbonyl)amino)succinateMFCD002358664-O-tert-butyl 1-O-(4-nitrophenyl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate(S)-4-tert-Butyl 1-(4-nitrophenyl)-2-(((benzyloxy)carbonyl)amino)succinateZ-L-Asp(tBu)-ONpZ-ASP(OBUT)-ONPKAURUWJRWPNSJD-SFHVURJKSA-NDTXSID20576752Z-ASPARTIC ACID(OTBU)-ONPAKOS016003410
Show more names
N-Benzyloxycarbonyl-L-aspartic acid-4-tert-butyl-1-(4-nitrophenyl)-esterBENZYLOXYCARBONYL-L-ASPARTIC ACID BETA-T-BUTYL ESTER P-NITROPHENYL ESTERBENZYLOXYCARBONYL-L-ASPARTIC ACID BETA-T-BUTYL-ALPHA-4-NITROPHENYL DI-ESTER
4-(2-Methyl-2-propanyl) 1-(4-nitrophenyl) N-[(benzyloxy)carbonyl]-L-aspartateN-alpha-Benzyloxycarbonyl-L-aspartic acid alpha-p-nitrophenyl beta-t-butyl esterFA111453SY5324634-tert-Butyl 1-(4-Nitrophenyl) (S)-2-(Cbz-amino)succinateZ-L-Aspartic acid beta-t-butyl ester alpha-4-nitrophenyl ester4-(tert-butyl) 1-(4-nitrophenyl) ((benzyloxy)carbonyl)-L-aspartate4-tert-Butyl 1-(4-nitrophenyl) N-[(benzyloxy)carbonyl]-L-aspartate
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 656
Physicochemical properties
- Melting point
- 85 · 85-87 °C
- Boiling point
- 609.9 · 609.9±55.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 10.09 · 10.09±0.46(Predicted)
Related reactions
1 records
Compound notes
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