Home Other Building Blocks L-Leucine, N-acetyl-, compd. with (1R)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline (1:1)

L-Leucine, N-acetyl-, compd. with (1R)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline (1:1)

CAS No.:
141109-12-8
Catalog Number:
AG001FXA
Molecular Formula:
C28H40N2O7
Molecular Weight:
516.6264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001FXA
Chemical Name:
L-Leucine, N-acetyl-, compd. with (1R)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline (1:1)
CAS Number:
141109-12-8
Molecular Formula:
C28H40N2O7
Molecular Weight:
516.6264
MDL Number:
MFCD11973628
IUPAC Name:
(2S)-2-acetamido-4-methylpentanoic acid;(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C20H25NO4.C8H15NO3/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5(2)4-7(8(11)12)9-6(3)10/h5-6,10-12,16,21H,7-9H2,1-4H3;5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t16-;7-/m10/s1
InChI Key:
LMGYIXCUQYTPKM-NDOMUHJGSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)C)C.COc1cc(ccc1OC)C[C@H]1NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
584  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
516.284g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
516.635g/mol
Monoisotopic Mass:
516.284g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties