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177966-61-9 | Benzo[b]thiophene-3-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
CAS No: 177966-61-9 Catalog No: AG0025OC MDL No:MFCD00672563
Product Description
Catalog Number:
AG0025OC
Chemical Name:
Benzo[b]thiophene-3-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
CAS Number:
177966-61-9
Molecular Formula:
C26H21NO4S
Molecular Weight:
443.5142
MDL Number:
MFCD00672563
IUPAC Name:
(2R)-3-(1-benzothiophen-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C26H21NO4S/c28-25(29)23(13-16-15-32-24-12-6-5-7-17(16)24)27-26(30)31-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,15,22-23H,13-14H2,(H,27,30)(H,28,29)/t23-/m1/s1
InChI Key:
BQIZNDWONIMCGM-HSZRJFAPSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1csc2c1cccc2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
443.119g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
443.517g/mol
Monoisotopic Mass:
443.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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