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124620-51-5 | L-Norvaline, 5-hydroxy-N-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester
CAS No: 124620-51-5 Catalog No: AG000MH5 MDL No:
Product Description
Catalog Number:
AG000MH5
Chemical Name:
L-Norvaline, 5-hydroxy-N-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester
CAS Number:
124620-51-5
Molecular Formula:
C17H25NO5
Molecular Weight:
323.3841
IUPAC Name:
tert-butyl (2S)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
InChI:
InChI=1S/C17H25NO5/c1-17(2,3)23-15(20)14(10-7-11-19)18-16(21)22-12-13-8-5-4-6-9-13/h4-6,8-9,14,19H,7,10-12H2,1-3H3,(H,18,21)/t14-/m0/s1
InChI Key:
WNQJOTOXDQAJLI-AWEZNQCLSA-N
SMILES:
OCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
323.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.389g/mol
Monoisotopic Mass:
323.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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