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Home > Fluorides > 205526-37-0
205526-37-0 | D-Phenylalanine, 3-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 205526-37-0 Catalog No: AG002A60 MDL No:MFCD00797586
Product Description
Catalog Number:
AG002A60
Chemical Name:
D-Phenylalanine, 3-cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
205526-37-0
Molecular Formula:
C25H20N2O4
Molecular Weight:
412.4373
MDL Number:
MFCD00797586
IUPAC Name:
(2R)-3-(3-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C25H20N2O4/c26-14-17-7-5-6-16(12-17)13-23(24(28)29)27-25(30)31-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m1/s1
InChI Key:
CVLOUTPKZUJTGV-HSZRJFAPSA-N
SMILES:
N#Cc1cccc(c1)C[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
412.142g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.445g/mol
Monoisotopic Mass:
412.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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