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156917-23-6 | D-Lysine, N6-[(phenylmethoxy)carbonyl]-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 156917-23-6 Catalog No: AG001P39 MDL No:MFCD00065241
Product Description
Catalog Number:
AG001P39
Chemical Name:
D-Lysine, N6-[(phenylmethoxy)carbonyl]-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
156917-23-6
Molecular Formula:
C21H27ClN2O4
Molecular Weight:
406.9031
MDL Number:
MFCD00065241
IUPAC Name:
benzyl (2R)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate;hydrochloride
InChI:
InChI=1S/C21H26N2O4.ClH/c22-19(20(24)26-15-17-9-3-1-4-10-17)13-7-8-14-23-21(25)27-16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1H/t19-;/m1./s1
InChI Key:
XHBTZNKKLKICJY-FSRHSHDFSA-N
SMILES:
O=C(OCc1ccccc1)NCCCC[C@H](C(=O)OCc1ccccc1)N.Cl
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
406.166g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.907g/mol
Monoisotopic Mass:
406.166g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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