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102185-45-5 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 102185-45-5 Catalog No: AG0006U4 MDL No:MFCD00058079
Product Description
Catalog Number:
AG0006U4
Chemical Name:
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
102185-45-5
Molecular Formula:
C27H44N2O4
Molecular Weight:
460.6493
MDL Number:
MFCD00058079
IUPAC Name:
N-cyclohexylcyclohexanamine;(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H21NO4.C12H23N/c1-15(2,3)20-14(19)16(4)12(13(17)18)10-11-8-6-5-7-9-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,12H,10H2,1-4H3,(H,17,18);11-13H,1-10H2/t12-;/m1./s1
InChI Key:
MFORGORUOHHLHW-UTONKHPSSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.CN([C@@H](C(=O)O)Cc1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
460.33g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
460.659g/mol
Monoisotopic Mass:
460.33g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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