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137506-13-9 | L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-cyclohexyl ester
CAS No: 137506-13-9 Catalog No: AG0013E8 MDL No:MFCD00076928
Product Description
Catalog Number:
AG0013E8
Chemical Name:
L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-cyclohexyl ester
CAS Number:
137506-13-9
Molecular Formula:
C16H26NO6-
Molecular Weight:
328.3807
MDL Number:
MFCD00076928
IUPAC Name:
(4S)-5-cyclohexyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
InChI:
InChI=1S/C16H27NO6/c1-16(2,3)23-15(21)17-12(9-10-13(18)19)14(20)22-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChI Key:
DVTMNTVXXIJGMR-LBPRGKRZSA-N
SMILES:
O=C([C@@H](NC(=O)OC(C)(C)C)CCC(=O)[O-])OC1CCCCC1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.184g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.393g/mol
Monoisotopic Mass:
329.184g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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