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Fmoc-Phe(4-Boc2-guanidino)-OH

CAS No.:
187283-25-6
Catalog Number:
AG003QNY
Molecular Formula:
C35H40N4O8
Molecular Weight:
644.7141
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Product Description
Catalog Number:
AG003QNY
Chemical Name:
Fmoc-Phe(4-Boc2-guanidino)-OH
CAS Number:
187283-25-6
Molecular Formula:
C35H40N4O8
Molecular Weight:
644.7141
MDL Number:
MFCD02092975
IUPAC Name:
(2S)-3-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C35H40N4O8/c1-34(2,3)46-32(43)38-30(39-33(44)47-35(4,5)6)36-22-17-15-21(16-18-22)19-28(29(40)41)37-31(42)45-20-27-25-13-9-7-11-23(25)24-12-8-10-14-26(24)27/h7-18,27-28H,19-20H2,1-6H3,(H,37,42)(H,40,41)(H2,36,38,39,43,44)/t28-/m0/s1
InChI Key:
CIEGZABLYKOZLG-NDEPHWFRSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2 C35H40N4O8
Properties
Complexity:
1080  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
644.285g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
644.725g/mol
Monoisotopic Mass:
644.285g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4  
Properties