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Home > Fluorides > 204716-12-1
204716-12-1 | L-Phenylalanine, 4-[(1,1-dimethylethyl)thio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 204716-12-1 Catalog No: AG0029NT MDL No:
Product Description
Catalog Number:
AG0029NT
Chemical Name:
L-Phenylalanine, 4-[(1,1-dimethylethyl)thio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
204716-12-1
Molecular Formula:
C28H29NO4S
Molecular Weight:
475.5992
IUPAC Name:
(2S)-3-(4-tert-butylsulfanylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C28H29NO4S/c1-28(2,3)34-19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m0/s1
InChI Key:
SCXBPQCFWOUPMW-VWLOTQADSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)SC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
475.182g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
475.603g/mol
Monoisotopic Mass:
475.182g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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