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Home > Fluorides > 1217840-61-3
1217840-61-3 | L-Histidine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-1-(triphenylmethyl)-
CAS No: 1217840-61-3 Catalog No: AG00160K MDL No:MFCD04974256
Product Description
Catalog Number:
AG00160K
Chemical Name:
L-Histidine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-1-(triphenylmethyl)-
CAS Number:
1217840-61-3
Molecular Formula:
C41H35N3O4
Molecular Weight:
633.7343
MDL Number:
MFCD04974256
IUPAC Name:
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(1-tritylimidazol-4-yl)propanoic acid
InChI:
InChI=1S/C41H35N3O4/c1-43(40(47)48-27-37-35-23-13-11-21-33(35)34-22-12-14-24-36(34)37)38(39(45)46)25-32-26-44(28-42-32)41(29-15-5-2-6-16-29,30-17-7-3-8-18-30)31-19-9-4-10-20-31/h2-24,26,28,37-38H,25,27H2,1H3,(H,45,46)/t38-/m0/s1
InChI Key:
JWVLJHMKVOZWMC-LHEWISCISA-N
SMILES:
O=C(N([C@H](C(=O)O)Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
998
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:
1
Isotope Atom Count:
0
Molecular Weight:
633.748g/mol
Monoisotopic Mass:
633.263g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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