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113534-17-1 | L-Glutamine, N-[bis(4-methoxyphenyl)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 113534-17-1 Catalog No: AG0008X5 MDL No:MFCD00065644
Product Description
Catalog Number:
AG0008X5
Chemical Name:
L-Glutamine, N-[bis(4-methoxyphenyl)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
113534-17-1
Molecular Formula:
C35H34N2O7
Molecular Weight:
594.6537
MDL Number:
MFCD00065644
IUPAC Name:
(2S)-5-[bis(4-methoxyphenyl)methylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
InChI:
InChI=1S/C35H34N2O7/c1-42-24-15-11-22(12-16-24)33(23-13-17-25(43-2)18-14-23)37-32(38)20-19-31(34(39)40)36-35(41)44-21-30-28-9-5-3-7-26(28)27-8-4-6-10-29(27)30/h3-18,30-31,33H,19-21H2,1-2H3,(H,36,41)(H,37,38)(H,39,40)/t31-/m0/s1
InChI Key:
LATICJFEOIZOBM-HKBQPEDESA-N
SMILES:
COc1ccc(cc1)C(N([C@H](C(=O)O)CCC(=O)N)C(=O)OCC1c2ccccc2c2c1cccc2)c1ccc(cc1)OC
Properties
Complexity:
899
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
594.237g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
594.664g/mol
Monoisotopic Mass:
594.237g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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