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1217521-20-4 | 3-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (αS)-
CAS No: 1217521-20-4 Catalog No: AG0015ST MDL No:
Product Description
Catalog Number:
AG0015ST
Chemical Name:
3-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (αS)-
CAS Number:
1217521-20-4
Molecular Formula:
C22H32N2O6
Molecular Weight:
420.4993
IUPAC Name:
tert-butyl 3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]piperidine-1-carboxylate
InChI:
InChI=1S/C22H32N2O6/c1-22(2,3)30-21(27)24-12-8-11-17(14-24)13-18(19(25)28-4)23-20(26)29-15-16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3,(H,23,26)/t17?,18-/m0/s1
InChI Key:
BRROATQELOFYBR-ZVAWYAOSSA-N
SMILES:
COC(=O)[C@@H](NC(=O)OCc1ccccc1)CC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
420.226g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.506g/mol
Monoisotopic Mass:
420.226g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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