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Home > Indoles and Oxindole > 115627-41-3
115627-41-3 | L-Phenylalanine, N-(1H-indol-3-ylcarbonyl)-
CAS No: 115627-41-3 Catalog No: AG000GA6 MDL No:MFCD08061355
Product Description
Catalog Number:
AG000GA6
Chemical Name:
L-Phenylalanine, N-(1H-indol-3-ylcarbonyl)-
CAS Number:
115627-41-3
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
MDL Number:
MFCD08061355
IUPAC Name:
(2S)-2-(1H-indole-3-carbonylamino)-3-phenylpropanoic acid
InChI:
InChI=1S/C18H16N2O3/c21-17(14-11-19-15-9-5-4-8-13(14)15)20-16(18(22)23)10-12-6-2-1-3-7-12/h1-9,11,16,19H,10H2,(H,20,21)(H,22,23)/t16-/m0/s1
InChI Key:
XMJAVOYAYRHTGQ-INIZCTEOSA-N
SMILES:
OC(=O)[C@@H](NC(=O)c1c[nH]c2c1cccc2)Cc1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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