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83999-94-4 | L-Histidine, 1-(2,4-dinitrophenyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 83999-94-4 Catalog No: AG004UA1 MDL No:MFCD00077060
Product Description
Catalog Number:
AG004UA1
Chemical Name:
L-Histidine, 1-(2,4-dinitrophenyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
83999-94-4
Molecular Formula:
C27H21N5O8
Molecular Weight:
543.4843
MDL Number:
MFCD00077060
IUPAC Name:
(2S)-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C27H21N5O8/c33-26(34)23(11-16-13-30(15-28-16)24-10-9-17(31(36)37)12-25(24)32(38)39)29-27(35)40-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12-13,15,22-23H,11,14H2,(H,29,35)(H,33,34)/t23-/m0/s1
InChI Key:
SADTWOVRWZDGHL-QHCPKHFHSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ncn(c1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
934
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
543.139g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
543.492g/mol
Monoisotopic Mass:
543.139g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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