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84891-19-0 | Fmoc-His(Bom)-OH
CAS No: 84891-19-0 Catalog No: AG003QNE MDL No:MFCD00077059
Product Description
Catalog Number:
AG003QNE
Chemical Name:
Fmoc-His(Bom)-OH
CAS Number:
84891-19-0
Molecular Formula:
C29H27N3O5
Molecular Weight:
497.5418
MDL Number:
MFCD00077059
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid
InChI:
InChI=1S/C29H27N3O5/c33-28(34)27(14-21-15-30-18-32(21)19-36-16-20-8-2-1-3-9-20)31-29(35)37-17-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,15,18,26-27H,14,16-17,19H2,(H,31,35)(H,33,34)/t27-/m0/s1
InChI Key:
CJBFCDKGOPEUOF-MHZLTWQESA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1cncn1COCc1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
497.195g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
497.551g/mol
Monoisotopic Mass:
497.195g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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