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Home > Fluorides > 198544-94-4
198544-94-4 | D-Lysine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N6-[(4-methylphenyl)diphenylmethyl]-
CAS No: 198544-94-4 Catalog No: AG002BKX MDL No:MFCD00270631
Product Description
Catalog Number:
AG002BKX
Chemical Name:
D-Lysine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N6-[(4-methylphenyl)diphenylmethyl]-
CAS Number:
198544-94-4
Molecular Formula:
C41H40N2O4
Molecular Weight:
624.7673
MDL Number:
MFCD00270631
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid
InChI:
InChI=1S/C41H40N2O4/c1-29-23-25-32(26-24-29)41(30-14-4-2-5-15-30,31-16-6-3-7-17-31)42-27-13-12-22-38(39(44)45)43-40(46)47-28-37-35-20-10-8-18-33(35)34-19-9-11-21-36(34)37/h2-11,14-21,23-26,37-38,42H,12-13,22,27-28H2,1H3,(H,43,46)(H,44,45)/t38-/m1/s1
InChI Key:
YPTNAIDIXCOZAJ-KXQOOQHDSA-N
SMILES:
Cc1ccc(cc1)C(c1ccccc1)(c1ccccc1)NCCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
942
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
624.299g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
624.781g/mol
Monoisotopic Mass:
624.299g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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