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203854-62-0 | Benzenepropanoic acid, α-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, (αS)-
CAS No: 203854-62-0 Catalog No: AG00294Q MDL No:MFCD07372497
Product Description
Catalog Number:
AG00294Q
Chemical Name:
Benzenepropanoic acid, α-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, (αS)-
CAS Number:
203854-62-0
Molecular Formula:
C25H23NO4
Molecular Weight:
401.4544
MDL Number:
MFCD07372497
IUPAC Name:
(2S)-2-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C25H23NO4/c27-24(28)18(14-17-8-2-1-3-9-17)15-26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)/t18-/m0/s1
InChI Key:
NZMKXKRMTSBQFS-SFHVURJKSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NC[C@@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
401.163g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
401.462g/mol
Monoisotopic Mass:
401.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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