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959573-98-9 | Boc-(R)-gamma-(4-iodo-benzyl)-L-proline
CAS No: 959573-98-9 Catalog No: AG00IJKP MDL No:MFCD06659440
Product Description
Catalog Number:
AG00IJKP
Chemical Name:
Boc-(R)-gamma-(4-iodo-benzyl)-L-proline
CAS Number:
959573-98-9
Molecular Formula:
C17H22INO4
Molecular Weight:
431.2653
MDL Number:
MFCD06659440
IUPAC Name:
(2S,4R)-4-[(4-iodophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H22INO4/c1-17(2,3)23-16(22)19-10-12(9-14(19)15(20)21)8-11-4-6-13(18)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,20,21)/t12-,14+/m1/s1
InChI Key:
HFFAEFOIUNDPAA-OCCSQVGLSA-N
SMILES:
Ic1ccc(cc1)C[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
431.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.27g/mol
Monoisotopic Mass:
431.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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