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88466-86-8 | L-Proline, 1-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl]-L-leucyl]-
CAS No: 88466-86-8 Catalog No: AG004C8E MDL No:
Product Description
Catalog Number:
AG004C8E
Chemical Name:
L-Proline, 1-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl]-L-leucyl]-
CAS Number:
88466-86-8
Molecular Formula:
C22H39N3O6
Molecular Weight:
441.5616
IUPAC Name:
1-[4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C22H39N3O6/c1-13(2)11-15(24-21(30)31-22(5,6)7)18(26)23-16(12-14(3)4)19(27)25-10-8-9-17(25)20(28)29/h13-17H,8-12H2,1-7H3,(H,23,26)(H,24,30)(H,28,29)
InChI Key:
LUHDTKOKEXVHLV-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(C)C)NC(=O)OC(C)(C)C)C
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.284g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
441.569g/mol
Monoisotopic Mass:
441.284g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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