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109434-24-4 | Fmoc-His(Trt);-Opfp
CAS No: 109434-24-4 Catalog No: AG003CO7 MDL No:
Product Description
Catalog Number:
AG003CO7
Chemical Name:
Fmoc-His(Trt);-Opfp
CAS Number:
109434-24-4
Molecular Formula:
C46H32F5N3O4
Molecular Weight:
785.7560
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoate
InChI:
InChI=1S/C46H32F5N3O4/c47-38-39(48)41(50)43(42(51)40(38)49)58-44(55)37(53-45(56)57-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-54(27-52-31)46(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,53,56)/t37-/m0/s1
InChI Key:
BEYCFWPYIFVBLO-QNGWXLTQSA-N
SMILES:
O=C(N[C@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
785.231g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
785.771g/mol
Monoisotopic Mass:
785.231g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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