Home Carbonyls L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-N,β,β-trimethyl-, compd. with (αS)-α-methylbenzenemethanamine

L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-N,β,β-trimethyl-, compd. with (αS)-α-methylbenzenemethanamine

CAS No.:
676487-36-8
Catalog Number:
AG00FC21
Molecular Formula:
C25H36N2O4
Molecular Weight:
428.5643
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Product Description
Catalog Number:
AG00FC21
Chemical Name:
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-N,β,β-trimethyl-, compd. with (αS)-α-methylbenzenemethanamine
CAS Number:
676487-36-8
Molecular Formula:
C25H36N2O4
Molecular Weight:
428.5643
MDL Number:
MFCD29472349
IUPAC Name:
3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylbutanoic acid;1-phenylethanamine
InChI:
InChI=1S/C17H25NO4.C8H11N/c1-16(2,3)22-15(21)18(6)13(14(19)20)17(4,5)12-10-8-7-9-11-12;1-7(9)8-5-3-2-4-6-8/h7-11,13H,1-6H3,(H,19,20);2-7H,9H2,1H3
InChI Key:
NPQXTAXAAOWVBB-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](C(c1ccccc1)(C)C)N(C(=O)OC(C)(C)C)C.C[C@@H](c1ccccc1)N
Properties
Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.268g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
428.573g/mol
Monoisotopic Mass:
428.268g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties