N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine(3786-08-1) IR1
Product NameN-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine
CAS3786-08-1
Molecular FormulaC20H20I2N2O5
Molecular Weight622.19
InChIInChI=1S/C20H20I2N2O5/c1-11(25)23-16(9-12-5-3-2-4-6-12)19(27)24-17(20(28)29)10-13-7-14(21)18(26)15(22)8-13/h2-8,16-17,26H,9-10H2,1H3,(H,23,25)(H,24,27)(H,28,29)/t16-,17-/m0/s1
InChIKey DWIHCEZUWCRUES-IRXDYDNUSA-N
SmilesC(O)(=O)[C@H](CC1=CC(I)=C(O)C(I)=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(C)=O
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MassMS-NW-9109 (+)-N-(N-acetyl-L-phenylalanyl)-3,5-diiodo-L-tyrosine C20H20I2N2O5 (Mass of molecular ion: 622)
Source Temperature: 230 °C Sample Temperature: 230 °C Direct, 75 eV
15.0 1.3 17.0 3.4 18.0 19.1 27.0 1.3 28.0 6.2 30.0 5.0 39.0 2.3 41.0 1.2 42.0 2.9 43.0 33.7 44.0 11.1 50.0 1.4 51.0 3.8 52.0 1.3 53.0 1.5 57.0 3.1 60.0 1.8 63.0 1.8 63.5 1.8 64.0 1.6 65.0 5.6 72.0 1.4 73.0 1.8 74.0 7.5 75.0 1.5 76.0 2.5 77.0 7.6 78.0 4.3 79.0 1.7 85.0 11.7 89.0 2.5 90.0 1.8 91.0 63.8 92.0 6.8 93.0 2.5 99.0 1.3 102.0 1.2 103.0 10.1 104.0 11.0 105.0 5.6 106.0 5.5 107.0 7.9 108.0 1.1 113.0 1.5 116.0 1.1 117.0 3.9 118.0 5.7 119.0 6.6 120.0 100.0 121.0 10.2 127.0 25.6 128.0 50.6 130.0 1.6 131.0 9.9 132.0 2.6 133.0 2.3 134.0 2.3 135.0 3.7 136.0 1.1 144.0 1.4 145.0 1.7 146.0 2.6 147.0 4.5 148.0 24.7 149.0 2.9 160.0 1.5 161.0 5.6 162.0 42.4 163.0 6.6 164.0 2.8 165.0 2.1 186.0 5.0 187.0 3.6 188.0 1.3 189.0 8.5 190.0 52.2 191.0 6.9 204.0 3.3 205.0 2.3 207.0 53.8 208.0 7.2 232.0 2.7 233.0 16.4 234.0 2.2 245.0 1.1 246.0 1.8 254.0 11.1 260.0 1.1 261.0 11.2 262.0 3.9 264.0 2.6 290.0 10.3 291.0 1.2 359.0 12.5 360.0 3.0 363.0 1.8 387.0 12.5 388.0 2.9 416.0 4.2
KBr disc
nujol mull
