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1217771-73-7 | 3-Pyridinepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-6-methoxy-, (βS)-
CAS No: 1217771-73-7 Catalog No: AG0015YE MDL No:MFCD04118075
Product Description
Catalog Number:
AG0015YE
Chemical Name:
3-Pyridinepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-6-methoxy-, (βS)-
CAS Number:
1217771-73-7
Molecular Formula:
C24H22N2O5
Molecular Weight:
418.4419
MDL Number:
MFCD04118075
IUPAC Name:
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-methoxypyridin-3-yl)propanoic acid
InChI:
InChI=1S/C24H22N2O5/c1-30-22-11-10-15(13-25-22)21(12-23(27)28)26-24(29)31-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,13,20-21H,12,14H2,1H3,(H,26,29)(H,27,28)/t21-/m0/s1
InChI Key:
XSOWGPXMQMVHDC-NRFANRHFSA-N
SMILES:
COc1ccc(cn1)[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC(=O)O
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
418.153g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.449g/mol
Monoisotopic Mass:
418.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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