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163437-14-7 | Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-(methylsulfonyl)-, (2S)-
CAS No: 163437-14-7 Catalog No: AG001U4C MDL No:MFCD00153361
Product Description
Catalog Number:
AG001U4C
Chemical Name:
Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-(methylsulfonyl)-, (2S)-
CAS Number:
163437-14-7
Molecular Formula:
C20H21NO6S
Molecular Weight:
403.4488
MDL Number:
MFCD00153361
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfonylbutanoic acid
InChI:
InChI=1S/C20H21NO6S/c1-28(25,26)11-10-18(19(22)23)21-20(24)27-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChI Key:
KJLKPACOHZKRFM-SFHVURJKSA-N
SMILES:
O=C(N[C@H](C(=O)O)CCS(=O)(=O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
403.109g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.449g/mol
Monoisotopic Mass:
403.109g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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