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187884-92-0 | L-Isoleucine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS No: 187884-92-0 Catalog No: AG002GJQ MDL No:
Product Description
Catalog Number:
AG002GJQ
Chemical Name:
L-Isoleucine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS Number:
187884-92-0
Molecular Formula:
C17H24N2O2
Molecular Weight:
288.3847
IUPAC Name:
(2S)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]-4-methylpentanoic acid
InChI:
InChI=1S/C17H24N2O2/c1-11(2)9-14(16(20)21)18-15-13-8-6-5-7-12(13)10-17(3,4)19-15/h5-8,11,14H,9-10H2,1-4H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChI Key:
CFSVWPQERLQYDF-AWEZNQCLSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O)NC1=NC(C)(C)Cc2c1cccc2)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
288.184g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.391g/mol
Monoisotopic Mass:
288.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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