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Home > Fluorides > 133367-34-7
133367-34-7 | L-Histidine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-[(4-methylphenyl)diphenylmethyl]-
CAS No: 133367-34-7 Catalog No: AG0014QA MDL No:MFCD00153358
Product Description
Catalog Number:
AG0014QA
Chemical Name:
L-Histidine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-[(4-methylphenyl)diphenylmethyl]-
CAS Number:
133367-34-7
Molecular Formula:
C41H35N3O4
Molecular Weight:
633.7343
MDL Number:
MFCD00153358
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(4-methylphenyl)-diphenylmethyl]imidazol-4-yl]propanoic acid
InChI:
InChI=1S/C41H35N3O4/c1-28-20-22-31(23-21-28)41(29-12-4-2-5-13-29,30-14-6-3-7-15-30)44-25-32(42-27-44)24-38(39(45)46)43-40(47)48-26-37-35-18-10-8-16-33(35)34-17-9-11-19-36(34)37/h2-23,25,27,37-38H,24,26H2,1H3,(H,43,47)(H,45,46)/t38-/m0/s1
InChI Key:
MNOCIIYDYLYWEU-LHEWISCISA-N
SMILES:
Cc1ccc(cc1)C(n1cnc(c1)C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)(c1ccccc1)c1ccccc1
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
633.263g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
633.748g/mol
Monoisotopic Mass:
633.263g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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