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13650-75-4 | L-Valine, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl-L-leucyl-, methyl ester
CAS No: 13650-75-4 Catalog No: AG0011XT MDL No:
Product Description
Catalog Number:
AG0011XT
Chemical Name:
L-Valine, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl-L-leucyl-, methyl ester
CAS Number:
13650-75-4
Molecular Formula:
C22H39N3O6
Molecular Weight:
441.5616
IUPAC Name:
tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C22H39N3O6/c1-13(2)12-15(18(26)24-17(14(3)4)20(28)30-8)23-19(27)16-10-9-11-25(16)21(29)31-22(5,6)7/h13-17H,9-12H2,1-8H3,(H,23,27)(H,24,26)/t15-,16-,17-/m0/s1
InChI Key:
KJJKZHILDMSZOS-ULQDDVLXSA-N
SMILES:
COC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CC(C)C
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
2
Isotope Atom Count:
0
Molecular Weight:
441.569g/mol
Monoisotopic Mass:
441.284g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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