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1194550-59-8 | L-Phenylalanine, 3-(methylsulfonyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1194550-59-8 Catalog No: AG000P7I MDL No:MFCD29919305
Product Description
Catalog Number:
AG000P7I
Chemical Name:
L-Phenylalanine, 3-(methylsulfonyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1194550-59-8
Molecular Formula:
C17H20ClNO4S
Molecular Weight:
369.8630
MDL Number:
MFCD29919305
IUPAC Name:
benzyl (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride
InChI:
InChI=1S/C17H19NO4S.ClH/c1-23(20,21)15-9-5-8-14(10-15)11-16(18)17(19)22-12-13-6-3-2-4-7-13;/h2-10,16H,11-12,18H2,1H3;1H/t16-;/m0./s1
InChI Key:
QMFDSGLDMSBMLX-NTISSMGPSA-N
SMILES:
O=C([C@H](Cc1cccc(c1)S(=O)(=O)C)N)OCc1ccccc1.Cl
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
369.08g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.86g/mol
Monoisotopic Mass:
369.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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