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204197-28-4 | L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(2-propenyloxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS No: 204197-28-4 Catalog No: AG0029BP MDL No:MFCD00800348
Product Description
Catalog Number:
AG0029BP
Chemical Name:
L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(2-propenyloxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS Number:
204197-28-4
Molecular Formula:
C24H43N3O6
Molecular Weight:
469.6147
MDL Number:
MFCD00800348
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(prop-2-enoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C12H20N2O6.C12H23N/c1-5-6-19-10(17)13-7-8(9(15)16)14-11(18)20-12(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,8H,1,6-7H2,2-4H3,(H,13,17)(H,14,18)(H,15,16);11-13H,1-10H2/t8-;/m0./s1
InChI Key:
KRVXFXVPQJBLFE-QRPNPIFTSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.C=CCOC(=O)NC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
469.315g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
469.623g/mol
Monoisotopic Mass:
469.315g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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