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200335-63-3 | D-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-[(2,4-dimethoxyphenyl)methyl] ester
CAS No: 200335-63-3 Catalog No: AG002COA MDL No:
Product Description
Catalog Number:
AG002COA
Chemical Name:
D-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-[(2,4-dimethoxyphenyl)methyl] ester
CAS Number:
200335-63-3
Molecular Formula:
C28H26NO8-
Molecular Weight:
504.5079
IUPAC Name:
(3R)-4-[(2,4-dimethoxyphenyl)methoxy]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C28H27NO8/c1-34-18-12-11-17(25(13-18)35-2)15-36-27(32)24(14-26(30)31)29-28(33)37-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-13,23-24H,14-16H2,1-2H3,(H,29,33)(H,30,31)/t24-/m1/s1
InChI Key:
ODIFVCRSTRBDDR-XMMPIXPASA-N
SMILES:
COc1ccc(c(c1)OC)COC(=O)[C@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC(=O)[O-]
Properties
Complexity:
768
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
505.174g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
505.523g/mol
Monoisotopic Mass:
505.174g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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