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123729-01-1 | L-Glutamic acid, bis(1,2,2-trimethylpropyl) ester (9CI)
CAS No: 123729-01-1 Catalog No: AG000L07 MDL No:
Product Description
Catalog Number:
AG000L07
Chemical Name:
L-Glutamic acid, bis(1,2,2-trimethylpropyl) ester (9CI)
CAS Number:
123729-01-1
Molecular Formula:
C17H33NO4
Molecular Weight:
315.4482
IUPAC Name:
bis(3,3-dimethylbutan-2-yl) (2S)-2-aminopentanedioate
InChI:
InChI=1S/C17H33NO4/c1-11(16(3,4)5)21-14(19)10-9-13(18)15(20)22-12(2)17(6,7)8/h11-13H,9-10,18H2,1-8H3/t11?,12?,13-/m0/s1
InChI Key:
NWFOJMQOKNLKHC-BPCQOVAHSA-N
SMILES:
O=C(OC(C(C)(C)C)C)CC[C@@H](C(=O)OC(C(C)(C)C)C)N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
315.241g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.454g/mol
Monoisotopic Mass:
315.241g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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