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247127-51-1 | L-Alanine, 3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 247127-51-1 Catalog No: AG002P62 MDL No:MFCD01631974
Product Description
Catalog Number:
AG002P62
Chemical Name:
L-Alanine, 3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
247127-51-1
Molecular Formula:
C28H30N2O6
Molecular Weight:
490.5476
MDL Number:
MFCD01631974
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]propanoic acid
InChI:
InChI=1S/C28H30N2O6/c1-16(25-23(31)12-28(2,3)13-24(25)32)29-14-22(26(33)34)30-27(35)36-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22,31H,12-15H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1
InChI Key:
GIPBZQFNSMWQIL-QFIPXVFZSA-N
SMILES:
O=C(N[C@H](C(=O)O)CNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
916
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
490.21g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
490.556g/mol
Monoisotopic Mass:
490.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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