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368866-07-3 | 1-(((9H-Fluoren-9-yl);methoxy);carbonyl);-4-((tert-butoxycarbonyl);amino);piperidine-4-carboxylic acid
CAS No: 368866-07-3 Catalog No: AG003K69 MDL No:MFCD02683117
Product Description
Catalog Number:
AG003K69
Chemical Name:
1-(((9H-Fluoren-9-yl);methoxy);carbonyl);-4-((tert-butoxycarbonyl);amino);piperidine-4-carboxylic acid
CAS Number:
368866-07-3
Molecular Formula:
C26H30N2O6
Molecular Weight:
466.5262
MDL Number:
MFCD02683117
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
InChI:
InChI=1S/C26H30N2O6/c1-25(2,3)34-23(31)27-26(22(29)30)12-14-28(15-13-26)24(32)33-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21H,12-16H2,1-3H3,(H,27,31)(H,29,30)
InChI Key:
SHJZHFAOEGNFGY-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O)OC(C)(C)C
Properties
Complexity:
748
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.21g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
466.534g/mol
Monoisotopic Mass:
466.21g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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