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113534-16-0 | L-Asparagine, N-[bis(4-methoxyphenyl)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 113534-16-0 Catalog No: AG0008X6 MDL No:
Product Description
Catalog Number:
AG0008X6
Chemical Name:
L-Asparagine, N-[bis(4-methoxyphenyl)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
113534-16-0
Molecular Formula:
C34H32N2O7
Molecular Weight:
580.6271
IUPAC Name:
(2S)-4-[bis(4-methoxyphenyl)methylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C34H32N2O7/c1-41-23-15-11-21(12-16-23)32(22-13-17-24(42-2)18-14-22)36-31(37)19-30(33(38)39)35-34(40)43-20-29-27-9-5-3-7-25(27)26-8-4-6-10-28(26)29/h3-18,29-30,32H,19-20H2,1-2H3,(H,35,40)(H,36,37)(H,38,39)/t30-/m0/s1
InChI Key:
NUINEVHFMAGARJ-PMERELPUSA-N
SMILES:
COc1ccc(cc1)C(N([C@H](C(=O)O)CC(=O)N)C(=O)OCC1c2ccccc2c2c1cccc2)c1ccc(cc1)OC
Properties
Complexity:
884
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
580.221g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
580.637g/mol
Monoisotopic Mass:
580.221g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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