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1954-45-6 | Tryptophan, 4-methyl-
CAS No: 1954-45-6 Catalog No: AG000A16 MDL No:MFCD00055987
Product Description
Catalog Number:
AG000A16
Chemical Name:
Tryptophan, 4-methyl-
CAS Number:
1954-45-6
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD00055987
IUPAC Name:
2-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C12H14N2O2/c1-7-3-2-4-10-11(7)8(6-14-10)5-9(13)12(15)16/h2-4,6,9,14H,5,13H2,1H3,(H,15,16)
InChI Key:
FPJGLSZLQLNZIW-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]c2c1c(C)ccc2)N
EC Number:
217-785-2
NSC Number:
71048
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Substrate promiscuity of the cyclic dipeptide prenyltransferases from Aspergillus fumigatus ( section sign). | Journal of natural products 20090101 |
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