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159877-09-5 | L-Norvaline, 5-[(methylsulfonyl)oxy]-N-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester
CAS No: 159877-09-5 Catalog No: AG001RHS MDL No:MFCD15146363
Product Description
Catalog Number:
AG001RHS
Chemical Name:
L-Norvaline, 5-[(methylsulfonyl)oxy]-N-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester
CAS Number:
159877-09-5
Molecular Formula:
C18H27NO7S
Molecular Weight:
401.4745
MDL Number:
MFCD15146363
IUPAC Name:
tert-butyl (2S)-5-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)pentanoate
InChI:
InChI=1S/C18H27NO7S/c1-18(2,3)26-16(20)15(11-8-12-25-27(4,22)23)19-17(21)24-13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3,(H,19,21)/t15-/m0/s1
InChI Key:
RTLIQGGSCSOEPF-HNNXBMFYSA-N
SMILES:
O=C(N[C@H](C(=O)OC(C)(C)C)CCCOS(=O)(=O)C)OCc1ccccc1
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
401.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.474g/mol
Monoisotopic Mass:
401.151g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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