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23632-70-4 | L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 23632-70-4 Catalog No: AG002NZD MDL No:MFCD00038885
Product Description
Catalog Number:
AG002NZD
Chemical Name:
L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
23632-70-4
Molecular Formula:
C28H44N2O6
Molecular Weight:
504.6588
MDL Number:
MFCD00038885
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C16H21NO6.C12H23N/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);11-13H,1-10H2/t12-;/m0./s1
InChI Key:
JEGXFHMMFLKBBW-YDALLXLXSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.O=C(N[C@H](C(=O)O)CC(=O)OC(C)(C)C)OCc1ccccc1
EC Number:
245-796-2
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
504.32g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
504.668g/mol
Monoisotopic Mass:
504.32g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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