User 677b9c22ff
11-07-2014 15:48:59
HI,
maybe there is a way to detect InchiKeys, instead of converting them to amino acids:
Especially with the generic ending (UHFFFAOYSA)
ANUHAQMQBKILRD-UHFFFAOYSA-N
Chemicalize currently tries to convince me its a peptide: H-Ala-Asn-Sec-His-Ala-Gln-Met-Gln-Asx-Lys-Ile-Leu-Arg-Asp-Sec-His-Phe-Phe-Phe-Ala-Pyl-Tyr-Ser-Ala-Asn-HO
The INCHI itself works fine of course.
InChI=1S/C11H22N2O4/c1-8(6-12)11(16)17-9(5-10(14)15)7-13(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9?/m1/s1
Cheers
Tobias