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(2S,4R)-4-([1,1'-Biphenyl]-4-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

CAS No.:
959573-17-2
Catalog Number:
AG00IJKC
Molecular Formula:
C23H27NO4
Molecular Weight:
381.4648
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Product Description
Catalog Number:
AG00IJKC
Chemical Name:
(2S,4R)-4-([1,1'-Biphenyl]-4-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
CAS Number:
959573-17-2
Molecular Formula:
C23H27NO4
Molecular Weight:
381.4648
MDL Number:
MFCD06659450
IUPAC Name:
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C23H27NO4/c1-23(2,3)28-22(27)24-15-17(14-20(24)21(25)26)13-16-9-11-19(12-10-16)18-7-5-4-6-8-18/h4-12,17,20H,13-15H2,1-3H3,(H,25,26)/t17-,20+/m1/s1
InChI Key:
MAYULIBGOWTDOJ-XLIONFOSSA-N
SMILES:
O=C(N1C[C@@H](C[C@H]1C(=O)O)Cc1ccc(cc1)c1ccccc1)OC(C)(C)C
Properties
Complexity:
541  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
381.194g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
381.472g/mol
Monoisotopic Mass:
381.194g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties