Basic information
- CAS
959581-83-0- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)O- InChIKey
RMZVCAKGGRWHKJ-OCCSQVGLSA-N- Molecular formula
- C17H22N2O6
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.14778643
Names & identifiers
- Preferred name
- (2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-nitrobenzyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
- English name
- (2S,4R)-1-(tert-butoxycarbonyl)-4-(3-nitrobenzyl)pyrrolidine-2-carboxylic acid
- Molecular formula
- C17H22N2O6
- Molecular weight
- 350.37
Names & synonyms
959581-83-0(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-nitrobenzyl)pyrrolidine-2-carboxylic acidMFCD06659413Boc-(R)-gamma-(3-nitro-benzyl)-L-proline(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acidDTXSID10376026(2S,4R)-1-[(tert-butoxy)carbonyl]-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acidAKOS015949812(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-nitrobenzyl)pyrrolidine-2-carboxylicacid(4R)-1-(tert-Butoxycarbonyl)-4-[(3-nitrophenyl)methyl]-L-proline(2S,4R)-1-tert-butoxycarbonyl-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acidBoc-(R)-3-(3-nitro-benzyl)-L-proline
Show more names
(Tert-Butoxy)Carbonyl (R)-γ-(3-nitro-benzyl)-L-ProN-(t-Butoxycarbonyl)-trans-4-(3-nitrobenzyl)-L-prolineBoc-(2S,4R)-1-(tert-butoxycarbonyl)-4-(3-nitrobenzyl)pyrrolidine-2-carboxylicacid1,2-Pyrrolidinedicarboxylic acid, 4-[(3-nitrophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Boiling point
- 521.4 · 521.4±40.0 °C(Predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.94 · 3.94±0.40(Predicted)
Chemistry & industry
Suppliers7 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海智乾生物科技有限公司[email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
上海梦蓝医药科技有限公司13062660007 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…