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26699-00-3 | Z-Ile-OH.DCHA
CAS No: 26699-00-3 Catalog No: AG003SVS MDL No:MFCD00043243
Product Description
Catalog Number:
AG003SVS
Chemical Name:
Z-Ile-OH.DCHA
CAS Number:
26699-00-3
Molecular Formula:
C26H42N2O4
Molecular Weight:
446.6227
MDL Number:
MFCD00043243
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
InChI:
InChI=1S/C14H19NO4.C12H23N/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2/t10-,12-;/m0./s1
InChI Key:
QWMHUFMEYKIYPC-JGAZGGJJSA-N
SMILES:
C1CCC(CC1)[NH2+]C1CCCCC1.CC[C@@H]([C@@H](C(=O)[O-])NC(=O)OCc1ccccc1)C
EC Number:
247-910-6
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
446.314g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
446.632g/mol
Monoisotopic Mass:
446.314g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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