Home Carboxys (2S,4S)-4-(((benzyloxy)carbonyl)amino)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-(((benzyloxy)carbonyl)amino)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

CAS No.:
874162-99-9
Catalog Number:
AG01DFU1
Molecular Formula:
C18H24N2O6
Molecular Weight:
364.3930
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Product Description
Catalog Number:
AG01DFU1
Chemical Name:
(2S,4S)-4-(((benzyloxy)carbonyl)amino)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
CAS Number:
874162-99-9
Molecular Formula:
C18H24N2O6
Molecular Weight:
364.3930
MDL Number:
MFCD22418951
IUPAC Name:
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C18H24N2O6/c1-18(2,3)26-17(24)20-10-13(9-14(20)15(21)22)19-16(23)25-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,23)(H,21,22)/t13-,14-/m0/s1
InChI Key:
KFRRDHBQRJQRRO-KBPBESRZSA-N
SMILES:
O=C(N[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)OCc1ccccc1
Properties
Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
364.163g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
364.398g/mol
Monoisotopic Mass:
364.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties