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168263-80-7 | 1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-methyl 1-(phenylmethyl) ester, (2S,4S)-
CAS No: 168263-80-7 Catalog No: AG001XYQ MDL No:MFCD29920507
Product Description
Catalog Number:
AG001XYQ
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-methyl 1-(phenylmethyl) ester, (2S,4S)-
CAS Number:
168263-80-7
Molecular Formula:
C19H26N2O6
Molecular Weight:
378.4195
MDL Number:
MFCD29920507
IUPAC Name:
1-O-benzyl 2-O-methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C19H26N2O6/c1-19(2,3)27-17(23)20-14-10-15(16(22)25-4)21(11-14)18(24)26-12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,20,23)/t14-,15-/m0/s1
InChI Key:
UVWVPIDBHIWJLK-GJZGRUSLSA-N
SMILES:
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
378.179g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.425g/mol
Monoisotopic Mass:
378.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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