Home Other Building Blocks N-[[4-(1,1-Dimethylethyl)phenyl]methyl-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-phenylmethyl)-L-tyrosinamide

N-[[4-(1,1-Dimethylethyl)phenyl]methyl-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-phenylmethyl)-L-tyrosinamide

CAS No.:
217171-01-2
Catalog Number:
AG00C4I6
Molecular Formula:
C38H53N3O3
Molecular Weight:
599.8457
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
95%
1 week
United States
$223
- +
5mg
95%
1 week
United States
$357
- +
10mg
95%
1 week
United States
$498
- +
Product Description
Catalog Number:
AG00C4I6
Chemical Name:
N-[[4-(1,1-Dimethylethyl)phenyl]methyl-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-phenylmethyl)-L-tyrosinamide
CAS Number:
217171-01-2
Molecular Formula:
C38H53N3O3
Molecular Weight:
599.8457
MDL Number:
MFCD12828777
IUPAC Name:
(2S)-N-[(2S)-1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide
InChI:
InChI=1S/C38H53N3O3/c1-27(2)23-34(41(9)25-29-15-19-31(20-16-29)37(3,4)5)36(43)39-33(35(42)40-38(6,7)8)24-28-17-21-32(22-18-28)44-26-30-13-11-10-12-14-30/h10-22,27,33-34H,23-26H2,1-9H3,(H,39,43)(H,40,42)/t33-,34-/m0/s1
InChI Key:
GCDHMGROXQUFNR-HEVIKAOCSA-N
SMILES:
CC(CC(C(=O)NC(C(=O)NC(C)(C)C)Cc1ccc(cc1)OCc1ccccc1)N(Cc1ccc(cc1)C(C)(C)C)C)C
UNII:
Z7UUP5FPKC
Properties
Complexity:
854  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
599.409g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
599.86g/mol
Monoisotopic Mass:
599.409g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3  
Properties