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201472-68-6 | L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 201472-68-6 Catalog No: AG002DG3 MDL No:MFCD00238311
Product Description
Catalog Number:
AG002DG3
Chemical Name:
L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
201472-68-6
Molecular Formula:
C25H47N3O6
Molecular Weight:
485.6572
MDL Number:
MFCD00238311
IUPAC Name:
(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;N-cyclohexylcyclohexanamine
InChI:
InChI=1S/C13H24N2O6.C12H23N/c1-12(2,3)20-10(18)14-7-8(9(16)17)15-11(19)21-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,15,19)(H,16,17);11-13H,1-10H2/t8-;/m0./s1
InChI Key:
DPWKLGZKZRIVIE-QRPNPIFTSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.O=C(OC(C)(C)C)NC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
485.346g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
485.666g/mol
Monoisotopic Mass:
485.346g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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