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827019-16-9

827019-16-9 | Glutamic acid, N,4-diacetyl-, 1-(1,1-dimethylethyl) 5-ethyl ester

CAS No: 827019-16-9 Catalog No: AG0051P7 MDL No:

Product Description

Catalog Number:
AG0051P7
Chemical Name:
Glutamic acid, N,4-diacetyl-, 1-(1,1-dimethylethyl) 5-ethyl ester
CAS Number:
827019-16-9
Molecular Formula:
C15H25NO6
Molecular Weight:
315.3621
IUPAC Name:
5-O-tert-butyl 1-O-ethyl (4S)-4-acetamido-2-acetylpentanedioate
InChI:
InChI=1S/C15H25NO6/c1-7-21-13(19)11(9(2)17)8-12(16-10(3)18)14(20)22-15(4,5)6/h11-12H,7-8H2,1-6H3,(H,16,18)/t11?,12-/m0/s1
InChI Key:
PDYNXBLCBBZNEQ-KIYNQFGBSA-N
SMILES:
CCOC(=O)C(C(=O)C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C

Properties

Complexity:
438  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
315.168g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.366g/mol
Monoisotopic Mass:
315.168g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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