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Home > Fluorides > 189256-53-9
189256-53-9 | L-Asparagine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanyl- (9CI)
CAS No: 189256-53-9 Catalog No: AG002I4R MDL No:
Product Description
Catalog Number:
AG002I4R
Chemical Name:
L-Asparagine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanyl- (9CI)
CAS Number:
189256-53-9
Molecular Formula:
C22H23N3O6
Molecular Weight:
425.4345
IUPAC Name:
(2S)-4-amino-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C22H23N3O6/c1-12(20(27)25-18(21(28)29)10-19(23)26)24-22(30)31-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18H,10-11H2,1H3,(H2,23,26)(H,24,30)(H,25,27)(H,28,29)/t12-,18-/m0/s1
InChI Key:
LMUMNUILRSIBNL-SGTLLEGYSA-N
SMILES:
NC(=O)C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)C
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
425.159g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
425.441g/mol
Monoisotopic Mass:
425.159g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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