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87579-10-0 | L-Tryptophan, 5-hydroxy-N-(1-oxo-3-phenylpropyl)-
CAS No: 87579-10-0 Catalog No: AG004IYL MDL No:
Product Description
Catalog Number:
AG004IYL
Chemical Name:
L-Tryptophan, 5-hydroxy-N-(1-oxo-3-phenylpropyl)-
CAS Number:
87579-10-0
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
IUPAC Name:
(2S)-3-(5-hydroxy-1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoic acid
InChI:
InChI=1S/C20H20N2O4/c23-15-7-8-17-16(11-15)14(12-21-17)10-18(20(25)26)22-19(24)9-6-13-4-2-1-3-5-13/h1-5,7-8,11-12,18,21,23H,6,9-10H2,(H,22,24)(H,25,26)/t18-/m0/s1
InChI Key:
ULXXQYQWBGWKGA-SFHVURJKSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cc(O)cc2)CCc1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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