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42568-21-8 | L-Methionine, N-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-
CAS No: 42568-21-8 Catalog No: AG0071T6 MDL No:
Product Description
Catalog Number:
AG0071T6
Chemical Name:
L-Methionine, N-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-
CAS Number:
42568-21-8
Molecular Formula:
C19H20N2O3S2
Molecular Weight:
388.5037
IUPAC Name:
(2S)-4-methylsulfanyl-2-[(2-oxo-2-phenothiazin-10-ylethyl)amino]butanoic acid
InChI:
InChI=1S/C19H20N2O3S2/c1-25-11-10-13(19(23)24)20-12-18(22)21-14-6-2-4-8-16(14)26-17-9-5-3-7-15(17)21/h2-9,13,20H,10-12H2,1H3,(H,23,24)/t13-/m0/s1
InChI Key:
UWCCSCIBWZBUJH-ZDUSSCGKSA-N
SMILES:
CSCC[C@@H](C(=O)O)NCC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
388.092g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.5g/mol
Monoisotopic Mass:
388.092g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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