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17966-61-9 | D-Methionine, N-benzoyl-
CAS No: 17966-61-9 Catalog No: AG00276I MDL No:
Product Description
Catalog Number:
AG00276I
Chemical Name:
D-Methionine, N-benzoyl-
CAS Number:
17966-61-9
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
IUPAC Name:
(2R)-2-benzamido-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1
InChI Key:
PPFRJEXUPZWQPI-SNVBAGLBSA-N
SMILES:
CSCC[C@H](C(=O)O)NC(=O)c1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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