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158860-18-5 | L-Alanine, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS No: 158860-18-5 Catalog No: AG001QYE MDL No:MFCD03428472
Product Description
Catalog Number:
AG001QYE
Chemical Name:
L-Alanine, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS Number:
158860-18-5
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
MDL Number:
MFCD03428472
IUPAC Name:
(2S)-2-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C18H18N2O4/c19-16(17(21)22)9-20-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,19H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChI Key:
XRZVCGIEHSZCNU-INIZCTEOSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NC[C@@H](C(=O)O)N
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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