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32326-55-9 | H-glu(ome)-obzl Tos
CAS No: 32326-55-9 Catalog No: AG003AH4 MDL No:MFCD00190907
Product Description
Catalog Number:
AG003AH4
Chemical Name:
H-glu(ome)-obzl Tos
CAS Number:
32326-55-9
Molecular Formula:
C20H25NO7S
Molecular Weight:
423.4800
MDL Number:
MFCD00190907
IUPAC Name:
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C13H17NO4.C7H8O3S/c1-17-12(15)8-7-11(14)13(16)18-9-10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11H,7-9,14H2,1H3;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1
InChI Key:
DVKWXOZIOZDBJY-MERQFXBCSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.COC(=O)CC[C@@H](C(=O)OCc1ccccc1)N
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
423.135g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
423.48g/mol
Monoisotopic Mass:
423.135g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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