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120042-09-3 | L-Homoserine, N-[(1,1-dimethylethoxy)carbonyl]-O-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS No: 120042-09-3 Catalog No: AG000Q75 MDL No:
Product Description
Catalog Number:
AG000Q75
Chemical Name:
L-Homoserine, N-[(1,1-dimethylethoxy)carbonyl]-O-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS Number:
120042-09-3
Molecular Formula:
C17H25NO7S
Molecular Weight:
387.4479
IUPAC Name:
4-methylbenzenesulfonic acid;methyl (2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI:
InChI=1S/C10H19NO5.C7H8O3S/c1-10(2,3)16-9(14)11-7(5-6-12)8(13)15-4;1-6-2-4-7(5-3-6)11(8,9)10/h7,12H,5-6H2,1-4H3,(H,11,14);2-5H,1H3,(H,8,9,10)/t7-;/m0./s1
InChI Key:
GKHAHBDLYCRPGL-FJXQXJEOSA-N
SMILES:
COC(=O)[C@@H](NC(=O)OC(C)(C)C)CCOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.146g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
405.462g/mol
Monoisotopic Mass:
405.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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