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142380-14-1 | L-Leucine, N-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-
CAS No: 142380-14-1 Catalog No: AG007YTJ MDL No:
Product Description
Catalog Number:
AG007YTJ
Chemical Name:
L-Leucine, N-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-
CAS Number:
142380-14-1
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
IUPAC Name:
(2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-4-methylpentanoic acid
InChI:
InChI=1S/C16H22N2O3/c1-11(2)9-14(15(19)20)17-16(21)18-8-7-12-5-3-4-6-13(12)10-18/h3-6,11,14H,7-10H2,1-2H3,(H,17,21)(H,19,20)/t14-/m0/s1
InChI Key:
BLVHPFUYGWDWHI-AWEZNQCLSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)N1CCc2c(C1)cccc2)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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