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Home > Fluorides > 138451-83-9
138451-83-9 | L-Histidine, 1-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 138451-83-9 Catalog No: AG00196K MDL No:
Product Description
Catalog Number:
AG00196K
Chemical Name:
L-Histidine, 1-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
138451-83-9
Molecular Formula:
C25H27N3O4
Molecular Weight:
433.4996
IUPAC Name:
3-(1-tert-butylimidazol-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C25H27N3O4/c1-25(2,3)28-13-16(26-15-28)12-22(23(29)30)27-24(31)32-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,13,15,21-22H,12,14H2,1-3H3,(H,27,31)(H,29,30)
InChI Key:
CKDQAVDKTMZITP-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ncn(c1)C(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.2g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
433.508g/mol
Monoisotopic Mass:
433.2g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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