Basic information
- CAS
268729-12-0- Standard SMILES
CC(C)(C)O[C@H]1C[C@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1- InChIKey
WPBXBYOKQUEIDW-YCRPNKLZSA-N- Molecular formula
- C24H27NO5
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.18892296
Names & identifiers
- Preferred name
- Fmoc-O-tert-butyl-D-4-hydroxyproline
- IUPAC
- (2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
- English name
- FMoc-D-Hyp(tBu)-OH
- Molecular formula
- C24H27NO5
- Molecular weight
- 409.47
Names & synonyms
268729-12-0FMOC-O-TERT-BUTYL-D-TRANS-4-HYDROXYPROLINEFmoc-D-Hyp(tBu)-OHFmoc-O-tert-butyl-D-4-hydroxyprolineMFCD11615628464193-92-8(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid(2R,4S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-(tert-butoxy)pyrrolidine-2-carboxylic acidFmoc-trans-D-Hyp(tBu)-OHFmoc-o-t-Butyl-D-trans-4-hydroxyprolineSCHEMBL29397992SCHEMBL31437115
Show more names
Icatibant Impurity 151-Fmoc-(4S)-4-tert-butoxy-D-prolineFmoc-O-tert-butyl-D-trans-4-hydroxyproline0.99(9H-Fluoren-9-yl)MethOxy]Carbonyl D-trans-Hyp(tBu)-OHN-α-(9-Fluorenylmethoxycarbonyl)-O-t-butyl-trans-4-hydroxy-D-proline(2R,4S)-1-(9-Fluorenylmethoxycarbonyl)-4-t-butoxypyrrolidine-2-carboxylic acid(2R,4S)-4-(tert-butoxy)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid
DTXSID10359657FF48573SY279623CS-0187839D83032F552665(4S)-4-tert-Butoxy-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-D-proline(2R,4S)-4-tert-butoxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Physicochemical properties
- Boiling point
- 578.6 · 578.6±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.71 · 3.71±0.40(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315; H319; H335
- Precautionary statements
- 261 · P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315; H319; H335
- Precautionary statements
- P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
Chemistry & industry
Applications
UsesFmoc-D-Hyp(tBu)-OH is used in the preparation of KMI-008 peptide derivatives and proline-based peptidomimetic analogs used as BACE1 inhibitors (β-secretase inhibitors).
Suppliers47 total
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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