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Home > Indoles and Oxindole > 164068-19-3
164068-19-3 | L-Tryptophan, 2-[2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-
CAS No: 164068-19-3 Catalog No: AG001UM7 MDL No:
Product Description
Catalog Number:
AG001UM7
Chemical Name:
L-Tryptophan, 2-[2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-
CAS Number:
164068-19-3
Molecular Formula:
C22H23N3O4
Molecular Weight:
393.4357
IUPAC Name:
(2S)-2-amino-3-[2-[2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-1H-indol-3-yl]propanoic acid
InChI:
InChI=1S/C22H23N3O4/c23-16(22(28)29)9-14-12-5-2-4-8-18(12)25-21(14)20(19(27)11-26)15-10-24-17-7-3-1-6-13(15)17/h1-8,10,16,19-20,24-27H,9,11,23H2,(H,28,29)/t16-,19?,20?/m0/s1
InChI Key:
AUBOWAVUZUFMLE-DZIBYMRMSA-N
SMILES:
OCC(C(c1c[nH]c2c1cccc2)c1[nH]c2c(c1C[C@@H](C(=O)O)N)cccc2)O
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
393.169g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
393.443g/mol
Monoisotopic Mass:
393.169g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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