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197245-29-7 | L-Methionine, N-[[(1,1-dioxidobenzo[b]thien-2-yl)methoxy]carbonyl]-
CAS No: 197245-29-7 Catalog No: AG002AOV MDL No:
Product Description
Catalog Number:
AG002AOV
Chemical Name:
L-Methionine, N-[[(1,1-dioxidobenzo[b]thien-2-yl)methoxy]carbonyl]-
CAS Number:
197245-29-7
Molecular Formula:
C15H17NO6S2
Molecular Weight:
371.4286
IUPAC Name:
(2S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C15H17NO6S2/c1-23-7-6-12(14(17)18)16-15(19)22-9-11-8-10-4-2-3-5-13(10)24(11,20)21/h2-5,8,12H,6-7,9H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key:
RBUIRQRLLHQRDV-LBPRGKRZSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)OCC1=Cc2c(S1(=O)=O)cccc2
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
371.05g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.422g/mol
Monoisotopic Mass:
371.05g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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