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89537-06-4 | L-Valine, N-methyl-N-[N-methyl-N-(N-methyl-L-leucyl)-L-leucyl]-
CAS No: 89537-06-4 Catalog No: AG003Z0Q MDL No:
Product Description
Catalog Number:
AG003Z0Q
Chemical Name:
L-Valine, N-methyl-N-[N-methyl-N-(N-methyl-L-leucyl)-L-leucyl]-
CAS Number:
89537-06-4
Molecular Formula:
C20H39N3O4
Molecular Weight:
385.5414
IUPAC Name:
3-methyl-2-[methyl-[4-methyl-2-[methyl-[4-methyl-2-(methylamino)pentanoyl]amino]pentanoyl]amino]butanoic acid
InChI:
InChI=1S/C20H39N3O4/c1-12(2)10-15(21-7)18(24)22(8)16(11-13(3)4)19(25)23(9)17(14(5)6)20(26)27/h12-17,21H,10-11H2,1-9H3,(H,26,27)
InChI Key:
LUSGOTDPRIZQCM-UHFFFAOYSA-N
SMILES:
CN[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)O)C(C)C)C)CC(C)C)C)CC(C)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.294g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.549g/mol
Monoisotopic Mass:
385.294g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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