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114117-71-4 | L-Leucinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-N-methyl- (9CI)
CAS No: 114117-71-4 Catalog No: AG000AMC MDL No:
Product Description
Catalog Number:
AG000AMC
Chemical Name:
L-Leucinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-N-methyl- (9CI)
CAS Number:
114117-71-4
Molecular Formula:
C15H29N3O4
Molecular Weight:
315.4085
IUPAC Name:
tert-butyl N-[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C15H29N3O4/c1-9(2)8-11(13(20)16-7)18-12(19)10(3)17-14(21)22-15(4,5)6/h9-11H,8H2,1-7H3,(H,16,20)(H,17,21)(H,18,19)
InChI Key:
IGWYMHUHOFTZDZ-UHFFFAOYSA-N
SMILES:
CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)CC(C)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.216g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.414g/mol
Monoisotopic Mass:
315.216g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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