jonathan   goodman

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c2k

CP3: NMR data

DP4: NMR data

force field     evaluation

InChIKey collision

RInChI project

solubility challenge

	Amino Acids
	Glycine Gly G H Alanine Ala A Me Valine Val V (CH3)2CH Leucine Leu L (CH3)2CHCH2 Isoleucine Ile I CH3CH2CH(CH3) Phenylalanine Phe F PhCH2 Tyrosine Tyr Y HOC6H4CH2 Tryptophan Trp W Indole-CH2 Serine Ser S HOCH2 Threonine Thr T CH3CH(OH) Methionine Met M CH3SCH2CH2 Cysteine Sys C HSCH2 Asparagine Asn N H2NCOCH2 Glutamine Gln Q H2NCOCH2CH2 Proline Pro P -CH2CH2CH2 Aspartic acid Asp D HOOCCH2 Glutamic acid Glu E HOOCCH2CH2 Lysine Lys K H2NCH2CH2CH2CH2 Arginine Arg R H2NC(=NH)NHCH2CH2CH2 Histidine His H Imidazole-CH2