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1217847-29-4 | Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-3-methyl-, (αR,βR)-rel-
CAS No: 1217847-29-4 Catalog No: AG00160E MDL No:MFCD07363623
Product Description
Catalog Number:
AG00160E
Chemical Name:
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-3-methyl-, (αR,βR)-rel-
CAS Number:
1217847-29-4
Molecular Formula:
C15H21NO5
Molecular Weight:
295.3309
MDL Number:
MFCD07363623
IUPAC Name:
(2R,3R)-2-hydroxy-3-(3-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO5/c1-9-6-5-7-10(8-9)11(12(17)13(18)19)16-14(20)21-15(2,3)4/h5-8,11-12,17H,1-4H3,(H,16,20)(H,18,19)/t11-,12-/m1/s1
InChI Key:
PLGCEOXNWANLCH-VXGBXAGGSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]([C@H](C(=O)O)O)c1cccc(c1)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
295.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.335g/mol
Monoisotopic Mass:
295.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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