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203645-44-7 | 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-4-(phenylmethyl)-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S,4R)-
CAS No: 203645-44-7 Catalog No: AG00292B MDL No:
Product Description
Catalog Number:
AG00292B
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 5-oxo-4-(phenylmethyl)-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S,4R)-
CAS Number:
203645-44-7
Molecular Formula:
C24H27NO5
Molecular Weight:
409.4749
IUPAC Name:
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-benzyl-5-oxopyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C24H27NO5/c1-24(2,3)30-23(28)25-20(22(27)29-16-18-12-8-5-9-13-18)15-19(21(25)26)14-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3/t19-,20+/m1/s1
InChI Key:
LMILJTUPJYRGKN-UXHICEINSA-N
SMILES:
O=C(N1[C@@H](C[C@H](C1=O)Cc1ccccc1)C(=O)OCc1ccccc1)OC(C)(C)C
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
409.189g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.482g/mol
Monoisotopic Mass:
409.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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