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Home > Fluorides > 133367-33-6
133367-33-6 | L-Histidine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-[(4-methoxyphenyl)diphenylmethyl]-
CAS No: 133367-33-6 Catalog No: AG0014QB MDL No:MFCD01075097
Product Description
Catalog Number:
AG0014QB
Chemical Name:
L-Histidine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-[(4-methoxyphenyl)diphenylmethyl]-
CAS Number:
133367-33-6
Molecular Formula:
C41H35N3O5
Molecular Weight:
649.7337
MDL Number:
MFCD01075097
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]propanoic acid
InChI:
InChI=1S/C41H35N3O5/c1-48-32-22-20-30(21-23-32)41(28-12-4-2-5-13-28,29-14-6-3-7-15-29)44-25-31(42-27-44)24-38(39(45)46)43-40(47)49-26-37-35-18-10-8-16-33(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:
RWXYQHDPFNGLFW-LHEWISCISA-N
SMILES:
COc1ccc(cc1)C(n1cnc(c1)C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)(c1ccccc1)c1ccccc1
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
649.258g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
649.747g/mol
Monoisotopic Mass:
649.258g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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