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203854-49-3 | Hexanedioic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 6-(1,1-dimethylethyl) ester, (3S)-
CAS No: 203854-49-3 Catalog No: AG00294W MDL No:MFCD01863053
Product Description
Catalog Number:
AG00294W
Chemical Name:
Hexanedioic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 6-(1,1-dimethylethyl) ester, (3S)-
CAS Number:
203854-49-3
Molecular Formula:
C25H28NO6-
Molecular Weight:
438.4929
MDL Number:
MFCD01863053
IUPAC Name:
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
InChI:
InChI=1S/C25H29NO6/c1-25(2,3)32-23(29)13-12-16(14-22(27)28)26-24(30)31-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3,(H,26,30)(H,27,28)/t16-/m0/s1
InChI Key:
XPCDWOCHPTYDPV-INIZCTEOSA-N
SMILES:
[O-]C(=O)C[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CCC(=O)OC(C)(C)C
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
439.199g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
439.508g/mol
Monoisotopic Mass:
439.199g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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