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87579-09-7 | L-Tryptophan, N-(1-oxo-3-phenyl-2-propynyl)-
CAS No: 87579-09-7 Catalog No: AG004IYM MDL No:
Product Description
Catalog Number:
AG004IYM
Chemical Name:
L-Tryptophan, N-(1-oxo-3-phenyl-2-propynyl)-
CAS Number:
87579-09-7
Molecular Formula:
C20H16N2O3
Molecular Weight:
332.3526
IUPAC Name:
(2S)-3-(1H-indol-3-yl)-2-(3-phenylprop-2-ynoylamino)propanoic acid
InChI:
InChI=1S/C20H16N2O3/c23-19(11-10-14-6-2-1-3-7-14)22-18(20(24)25)12-15-13-21-17-9-5-4-8-16(15)17/h1-9,13,18,21H,12H2,(H,22,23)(H,24,25)/t18-/m0/s1
InChI Key:
LVQFXHLMDKLOQV-SFHVURJKSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C#Cc1ccccc1
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
332.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
332.359g/mol
Monoisotopic Mass:
332.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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