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86060-84-6 | L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(phenylmethyl) ester
CAS No: 86060-84-6 Catalog No: AG0036EZ MDL No:MFCD00065630
Product Description
Catalog Number:
AG0036EZ
Chemical Name:
L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(phenylmethyl) ester
CAS Number:
86060-84-6
Molecular Formula:
C26H23NO6
Molecular Weight:
445.4639
MDL Number:
MFCD00065630
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-phenylmethoxybutanoic acid
InChI:
InChI=1S/C26H23NO6/c28-24(32-15-17-8-2-1-3-9-17)14-23(25(29)30)27-26(31)33-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,27,31)(H,29,30)/t23-/m0/s1
InChI Key:
OQGAELAJEGGNKG-QHCPKHFHSA-N
SMILES:
O=C(N[C@H](C(=O)O)CC(=O)OCc1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
445.153g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
445.471g/mol
Monoisotopic Mass:
445.153g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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