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102185-42-2 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-nitro-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 102185-42-2 Catalog No: AG0006U6 MDL No:MFCD00069882
Product Description
Catalog Number:
AG0006U6
Chemical Name:
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-nitro-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
102185-42-2
Molecular Formula:
C26H41N3O6
Molecular Weight:
491.6202
MDL Number:
MFCD00069882
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid
InChI:
InChI=1S/C14H18N2O6.C12H23N/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18);11-13H,1-10H2/t11-;/m0./s1
InChI Key:
LVBPPXVRTJXZEU-MERQFXBCSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.OC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
491.3g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
491.629g/mol
Monoisotopic Mass:
491.3g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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