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1026987-94-9 | L-Glutamic acid, N-[[[(1S)-3-carboxy-1-[(1,1-dimethylethoxy)carbonyl]propyl]amino]carbonyl]-, 1,5-bis(1,1-dimethylethyl) ester
CAS No: 1026987-94-9 Catalog No: AG000855 MDL No:
Product Description
Catalog Number:
AG000855
Chemical Name:
L-Glutamic acid, N-[[[(1S)-3-carboxy-1-[(1,1-dimethylethoxy)carbonyl]propyl]amino]carbonyl]-, 1,5-bis(1,1-dimethylethyl) ester
CAS Number:
1026987-94-9
Molecular Formula:
C23H40N2O9
Molecular Weight:
488.5717
IUPAC Name:
(4S)-4-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
InChI:
InChI=1S/C23H40N2O9/c1-21(2,3)32-17(28)13-11-15(19(30)34-23(7,8)9)25-20(31)24-14(10-12-16(26)27)18(29)33-22(4,5)6/h14-15H,10-13H2,1-9H3,(H,26,27)(H2,24,25,31)/t14-,15-/m0/s1
InChI Key:
KBDDHSXZOLZZGF-GJZGRUSLSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@H](C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
Properties
Complexity:
743
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
488.273g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
488.578g/mol
Monoisotopic Mass:
488.273g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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