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114927-11-6 | L-Methionine, N-(4-aminobenzoyl)-
CAS No: 114927-11-6 Catalog No: AG000FGP MDL No:
Product Description
Catalog Number:
AG000FGP
Chemical Name:
L-Methionine, N-(4-aminobenzoyl)-
CAS Number:
114927-11-6
Molecular Formula:
C12H16N2O3S
Molecular Weight:
268.3320
IUPAC Name:
2-[(4-aminobenzoyl)amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C12H16N2O3S/c1-18-7-6-10(12(16)17)14-11(15)8-2-4-9(13)5-3-8/h2-5,10H,6-7,13H2,1H3,(H,14,15)(H,16,17)
InChI Key:
SCFUPWGORLZKNK-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.331g/mol
Monoisotopic Mass:
268.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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