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128545-09-5 | L-Histidine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(triphenylmethyl)-
CAS No: 128545-09-5 Catalog No: AG000Y76 MDL No:
Product Description
Catalog Number:
AG000Y76
Chemical Name:
L-Histidine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(triphenylmethyl)-
CAS Number:
128545-09-5
Molecular Formula:
C40H33N3O4
Molecular Weight:
619.7077
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-tritylimidazol-4-yl)propanoic acid
InChI:
InChI=1S/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-41-27-43(31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m0/s1
InChI Key:
LCDUPKDPUSBXAY-QNGWXLTQSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2
EC Number:
603-280-8
Properties
Complexity:
967
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
619.247g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
619.721g/mol
Monoisotopic Mass:
619.247g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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