(2S)-2-azaniumyl-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate CDK 2/12/10,15:27 20 21 0 0 0 0 0 0 0 0999 V2000 4.4106 -5.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4106 -5.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 -4.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 -6.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 -5.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 -5.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 -4.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6802 -5.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 -6.1322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 -3.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 -3.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 -2.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2672 -2.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 -2.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4502 -4.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2572 -3.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5121 -3.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9601 -2.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3191 -2.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 -4.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 2 1 2 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 15 7 1 0 0 0 0 16 15 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 M CHG 1 19 -1 M CHG 1 20 1 M END > CHEBI:58209 > 4-(3-methylbut-2-enyl)-L-tryptophan zwitterion > An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 4-(3-methylbut-2-enyl)-L-tryptophan; major species at pH 7.3. > 3 > 4-(3-methylbut-2-enyl)-L-tryptophan > (2S)-2-azaniumyl-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate > C16H20N2O2 > 272.34220 > 272.15248 > 0 > CC(C)=CCc1cccc2[nH]cc(C[C@H]([NH3+])C([O-])=O)c12 > InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-6,9,13,18H,7-8,17H2,1-2H3,(H,19,20)/t13-/m0/s1 > MZSPRSJAOSKAAT-ZDUSSCGKSA-N $$$$