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Home > Fluorides > 206060-40-4
206060-40-4 | L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-methoxy-
CAS No: 206060-40-4 Catalog No: AG002AHW MDL No:MFCD01317009
Product Description
Catalog Number:
AG002AHW
Chemical Name:
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-methoxy-
CAS Number:
206060-40-4
Molecular Formula:
C25H23NO5
Molecular Weight:
417.4538
MDL Number:
MFCD01317009
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C25H23NO5/c1-30-17-8-6-7-16(13-17)14-23(24(27)28)26-25(29)31-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1
InChI Key:
IKKQVAWYVGALAQ-QHCPKHFHSA-N
SMILES:
COc1cccc(c1)C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
417.158g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
417.461g/mol
Monoisotopic Mass:
417.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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