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Home > Fluorides > 138775-22-1
138775-22-1 | L-Isoleucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
CAS No: 138775-22-1 Catalog No: AG0019JU MDL No:MFCD00153389
Product Description
Catalog Number:
AG0019JU
Chemical Name:
L-Isoleucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
CAS Number:
138775-22-1
Molecular Formula:
C22H25NO4
Molecular Weight:
367.4382
MDL Number:
MFCD00153389
IUPAC Name:
(2S,3S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylpentanoic acid
InChI:
InChI=1S/C22H25NO4/c1-4-14(2)20(21(24)25)23(3)22(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,4,13H2,1-3H3,(H,24,25)/t14-,20-/m0/s1
InChI Key:
IQIOLCJHRZWOLS-XOBRGWDASA-N
SMILES:
CC[C@@H]([C@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)C)C(=O)O)C
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
367.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.445g/mol
Monoisotopic Mass:
367.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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