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1218-34-4 | L-Tryptophan, N-acetyl-
CAS No: 1218-34-4 Catalog No: AG001627 MDL No:MFCD00065976
Product Description
Catalog Number:
AG001627
Chemical Name:
L-Tryptophan, N-acetyl-
CAS Number:
1218-34-4
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD00065976
IUPAC Name:
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChI Key:
DZTHIGRZJZPRDV-LBPRGKRZSA-N
SMILES:
CC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2
EC Number:
214-935-9
UNII:
U9264T8OAE
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
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|---|---|
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| On the mechanism of the ascorbic acid-induced release of nitric oxide from N-nitrosated tryptophan derivatives: scavenging of NO by ascorbyl radicals. | Chemistry (Weinheim an der Bergstrasse, Germany) 20061124 |
| Preparation and identification of anti-melatonin monoclonal antibodies. | Journal of pineal research 20060501 |
| Covalent and noncovalent interactions for [metal(dien)nucleobase](2+) complexes with L-tryptophan derivatives: formation of palladium-tryptophan species by nucleobase substitution under biologically relevant conditions. | Inorganic chemistry 20060220 |
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| Degradation of N-acetyl tryptophan by low-energy (<12 eV) electrons. | Journal of the American Chemical Society 20040929 |
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