N-Boc-trans-4-N-Fmoc-amino-L-proline - CAS 176486-63-8
Catalog: |
BB046689 |
Product Name: |
N-Boc-trans-4-N-Fmoc-amino-L-proline |
CAS: |
176486-63-8 |
Synonyms: |
Fmoc-(2S,4R)-4-amino-1-Boc-pyrrolidine-2-carboxylic acid; (2S,4R)-4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid; Fmoc-ABPC(2S,4R)-OH; (2S,4R)-4-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) Ester; (2S-trans)-4-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) Ester; (2S,4R)-(1-Boc)-4-N-(Fmoc)-4-aminopyrrolidine-2-carboxylic acid |
Related CAS: | 174148-03-9 (2S,4S-isomer)
|
IUPAC Name: | (2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
Description: | N-Boc-trans-4-N-Fmoc-amino-L-proline (CAS# 176486-63-8 ) is a useful research chemical. |
Molecular Weight: | 452.50 |
Molecular Formula: | C25H28N2O6 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(CC1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
InChI: | InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-15(12-21(27)22(28)29)26-23(30)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t15-,21+/m1/s1 |
InChI Key: | UPXRTVAIJMUAQR-VFNWGFHPSA-N |
Boiling Point: | 650.2±55.0 °C (Predicted) |
Melting Point: | 199 °C |
Purity: | ≥ 99 % by HPLC |
Density: | 1.33 g/cm3 |
Appearance: | White to off-white powder |
Storage: | Store at 2-8 °C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 728 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 452.19473662 |
Formal Charge: | 0 |
Heavy Atom Count: | 33 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 452.19473662 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 105 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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