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187884-93-1 | L-Methionine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS No: 187884-93-1 Catalog No: AG002GJP MDL No:
Product Description
Catalog Number:
AG002GJP
Chemical Name:
L-Methionine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS Number:
187884-93-1
Molecular Formula:
C16H22N2O2S
Molecular Weight:
306.4231
IUPAC Name:
2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C16H22N2O2S/c1-16(2)10-11-6-4-5-7-12(11)14(18-16)17-13(15(19)20)8-9-21-3/h4-7,13H,8-10H2,1-3H3,(H,17,18)(H,19,20)
InChI Key:
ZMGKDFXVKGOIRI-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC1=NC(C)(C)Cc2c1cccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.14g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.424g/mol
Monoisotopic Mass:
306.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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