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Home > Imidazoles > 820235-24-3
820235-24-3 | L-Valine, N-[[(4S)-2,2,4-trimethyl-5-oxo-1-imidazolidinyl]acetyl]-
CAS No: 820235-24-3 Catalog No: AG008KD4 MDL No:
Product Description
Catalog Number:
AG008KD4
Chemical Name:
L-Valine, N-[[(4S)-2,2,4-trimethyl-5-oxo-1-imidazolidinyl]acetyl]-
CAS Number:
820235-24-3
Molecular Formula:
C13H23N3O4
Molecular Weight:
285.3394
IUPAC Name:
(2S)-3-methyl-2-[[2-[(4S)-2,2,4-trimethyl-5-oxoimidazolidin-1-yl]acetyl]amino]butanoic acid
InChI:
InChI=1S/C13H23N3O4/c1-7(2)10(12(19)20)14-9(17)6-16-11(18)8(3)15-13(16,4)5/h7-8,10,15H,6H2,1-5H3,(H,14,17)(H,19,20)/t8-,10-/m0/s1
InChI Key:
QJCOUJDGURCTSL-WPRPVWTQSA-N
SMILES:
O=C(CN1C(=O)[C@@H](NC1(C)C)C)N[C@H](C(=O)O)C(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
285.169g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.344g/mol
Monoisotopic Mass:
285.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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