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Home > Fluorides > 157355-79-8
157355-79-8 | D-Histidine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 157355-79-8 Catalog No: AG001PE4 MDL No:MFCD00237022
Product Description
Catalog Number:
AG001PE4
Chemical Name:
D-Histidine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
157355-79-8
Molecular Formula:
C21H19N3O4
Molecular Weight:
377.3933
MDL Number:
MFCD00237022
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C21H19N3O4/c25-20(26)19(9-13-10-22-12-23-13)24-21(27)28-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10,12,18-19H,9,11H2,(H,22,23)(H,24,27)(H,25,26)/t19-/m1/s1
InChI Key:
SIRPVCUJLVXZPW-LJQANCHMSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1c[nH]cn1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
377.138g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
377.4g/mol
Monoisotopic Mass:
377.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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