N-Carbobenzoxy-L-leucyl-L-alanine benzyl ester(17664-94-7) MS
Product NameN-Carbobenzoxy-L-leucyl-L-alanine benzyl ester
CAS17664-94-7
Molecular FormulaC24H30N2O5
Molecular Weight426.51
InChIInChI=1S/C24H30N2O5/c1-17(2)14-21(26-24(29)31-16-20-12-8-5-9-13-20)22(27)25-18(3)23(28)30-15-19-10-6-4-7-11-19/h4-13,17-18,21H,14-16H2,1-3H3,(H,25,27)(H,26,29)/t18-,21-/m0/s1
InChIKey XPJZDZJUQJWXQX-RXVVDRJESA-N
SmilesC(OCC1=CC=CC=C1)(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(OCC1=CC=CC=C1)=O
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MassMS-NW-2399 N-benzyloxycarbonyl-L-leucyl-L-alanine benzyl ester C24H30N2O5 (Mass of molecular ion: 426)
Source Temperature: 230 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 4.7 27.0 3.3 28.0 3.4 29.0 3.2 30.0 4.3 39.0 4.3 41.0 5.5 42.0 3.3 43.0 9.2 44.0 21.2 50.0 1.5 51.0 3.6 52.0 1.1 53.0 1.0 55.0 1.6 56.0 1.0 57.0 2.3 63.0 1.7 65.0 7.0 69.0 2.4 70.0 4.8 74.0 1.4 77.0 6.5 78.0 1.5 79.0 11.2 80.0 1.2 83.0 1.1 84.0 1.1 86.0 9.7 89.0 2.0 90.0 2.1 91.0 100.0 92.0 8.8 98.0 1.2 99.0 1.3 100.0 4.3 107.0 8.4 108.0 10.0 112.0 2.2 126.0 1.9 128.0 1.5 130.0 4.5 142.0 11.8 143.0 1.3 155.0 9.0 156.0 1.1 172.0 1.3 176.0 17.2 177.0 2.3 183.0 14.9 184.0 7.3 185.0 1.0 211.0 1.9 220.0 7.0 221.0 1.2
in CDCl3
KBr disc
nujol mull
