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204058-25-3 | 4-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
CAS No: 204058-25-3 Catalog No: AG00299J MDL No:MFCD01321423
Product Description
Catalog Number:
AG00299J
Chemical Name:
4-Piperidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
CAS Number:
204058-25-3
Molecular Formula:
C28H34N2O6
Molecular Weight:
494.5794
MDL Number:
MFCD01321423
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
InChI:
InChI=1S/C28H34N2O6/c1-28(2,3)36-27(34)30-14-12-18(13-15-30)16-24(25(31)32)29-26(33)35-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23-24H,12-17H2,1-3H3,(H,29,33)(H,31,32)/t24-/m0/s1
InChI Key:
JVDSTYGNXVJVKL-DEOSSOPVSA-N
SMILES:
O=C(N[C@H](C(=O)O)CC1CCN(CC1)C(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
494.242g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
494.588g/mol
Monoisotopic Mass:
494.242g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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