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161420-87-7 | Butanoic acid, 4-amino-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
CAS No: 161420-87-7 Catalog No: AG001SGA MDL No:MFCD00237017
Product Description
Catalog Number:
AG001SGA
Chemical Name:
Butanoic acid, 4-amino-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
CAS Number:
161420-87-7
Molecular Formula:
C19H20N2O4
Molecular Weight:
340.3731
MDL Number:
MFCD00237017
IUPAC Name:
(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C19H20N2O4/c20-10-9-17(18(22)23)21-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11,20H2,(H,21,24)(H,22,23)/t17-/m0/s1
InChI Key:
ZZDRDGKSMGGBDI-KRWDZBQOSA-N
SMILES:
NCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
340.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.379g/mol
Monoisotopic Mass:
340.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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