Product NameN,N'-Bis(benzyloxycarbonyl)-L-cystine
CAS6968-11-2
Molecular FormulaC22H24N2O8S2
Molecular Weight508.56
InChIInChI=1S/C22H24N2O8S2/c25-19(26)17(23-21(29)31-11-15-7-3-1-4-8-15)13-33-34-14-18(20(27)28)24-22(30)32-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,29)(H,24,30)(H,25,26)(H,27,28)/t17-,18+
InChIKey PTRQEEVKHMDMCF-HDICACEKSA-N
SmilesC(O)(=O)[C@H](CSSC[C@H](C(O)=O)NC(OCC1=CC=CC=C1)=O)NC(OCC1=CC=CC=C1)=O
Mass
MS-NW-2149 N,N'-bis(benzyloxycarbonyl)-L-cystine C22H24N2O8S2 (Mass of molecular ion: 508)
Source Temperature: 230 °C Sample Temperature: 250 °C Direct, 75 eV
15.0 2.2 16.0 1.4 17.0 1.2 18.0 6.0 26.0 2.7 27.0 6.2 28.0 7.5 29.0 3.0 30.0 1.7 31.0 1.9 32.0 2.5 33.0 1.8 34.0 5.0 37.0 1.1 38.0 2.6 39.0 9.2 40.0 4.4 41.0 12.0 42.0 7.1 43.0 5.5 44.0 35.8 45.0 5.6 46.0 3.4 47.0 2.3 50.0 5.6 51.0 12.4 52.0 3.9 53.0 3.2 54.0 1.1 55.0 1.7 58.0 2.6 59.0 3.7 60.0 1.5 61.0 1.1 62.0 1.8 63.0 4.5 64.0 4.8 65.0 12.7 66.0 1.1 69.0 2.1 72.0 1.2 73.0 2.3 74.0 8.1 75.0 2.1 76.0 2.1 77.0 27.8 78.0 6.5 79.0 55.7 80.0 5.7 86.0 2.9 89.0 5.7 90.0 7.7 91.0 100.0 92.0 10.0 101.0 4.8 102.0 12.2 103.0 1.0 104.0 2.1 105.0 3.2 106.0 1.7 107.0 36.6 108.0 56.4 109.0 4.3 113.0 3.1 123.0 1.2 124.0 2.3 137.0 4.7 138.0 1.6 147.0 2.0 151.0 3.3 176.0 1.0 237.0 1.2
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C22 H24 N2 O8 S2 | 0.041 g : 0.5 ml DMSO-d6 |
N,N'-bis(benzyloxycarbonyl)-L-cystine |
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Assign. Shift(ppm) |
Hz ppm Int.
3108.89 7.780 134 3100.34 7.758 138 2958.25 7.403 36 2954.10 7.392 61 2945.31 7.370 407 2941.41 7.360 1000 2936.52 7.348 145 2931.88 7.337 143 2929.20 7.330 131 2927.73 7.326 124 2923.34 7.315 101 2918.46 7.303 58 2031.01 5.082 49 2026.86 5.072 32 2025.63 5.069 32 2018.55 5.051 361 2016.36 5.046 386 2003.91 5.015 35 1729.00 4.327 48 1724.61 4.316 55 1718.99 4.302 75 1716.31 4.295 69 1714.84 4.291 64 1710.45 4.280 51 1706.30 4.270 42 1272.46 3.184 61 1268.31 3.174 68 1258.54 3.150 87 1254.64 3.140 77 1182.86 2.960 63 1172.61 2.935 76 1169.19 2.926 65 1159.18 2.901 54
KBr disc
nujol mull
N,N'-Bis(benzyloxycarbonyl)-L-cystine(6968-11-2) 1H NMR Atlas of Related Products
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