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159086-00-7 | L-Leucine, N-[(4E)-5-(2-furanyl)-3-oxo-4-penten-1-yl]-, methyl ester
CAS No: 159086-00-7 Catalog No: AG001QGK MDL No:
Product Description
Catalog Number:
AG001QGK
Chemical Name:
L-Leucine, N-[(4E)-5-(2-furanyl)-3-oxo-4-penten-1-yl]-, methyl ester
CAS Number:
159086-00-7
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
IUPAC Name:
methyl (2S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate
InChI:
InChI=1S/C16H23NO4/c1-12(2)11-15(16(19)20-3)17-9-8-13(18)6-7-14-5-4-10-21-14/h4-7,10,12,15,17H,8-9,11H2,1-3H3/t15-/m0/s1
InChI Key:
PKGFGZCXWHOIMD-HNNXBMFYSA-N
SMILES:
COC(=O)[C@H](CC(C)C)NCCC(=O)/C=C/c1ccco1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.363g/mol
Monoisotopic Mass:
293.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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