John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=E96d827jlVZ SpectraBase Spectrum ID=HqwIP3Pm0oC

(accessed ).
N-[(BENZYLOXY)-CARBONYL]-L-LEUCYL-2-METHYLALANYL-L-PROLYL-L-VALYL-2-METHYLALANINYL-2-METHYLALANYL-0-(5)-BENZYL-L-GLUTAM-1-YL-L-GLUTAMINYL-L-PHENYLALANINOL;COMP
SpectraBase Compound ID E96d827jlVZ
InChI InChI=1S/C62H88N10O14/c1-38(2)33-46(67-59(84)86-37-42-25-18-13-19-26-42)53(78)69-62(9,10)58(83)72-32-20-27-47(72)54(79)68-50(39(3)4)55(80)70-61(7,8)57(82)71-60(5,6)56(81)66-45(29-31-49(75)85-36-41-23-16-12-17-24-41)52(77)65-44(28-30-48(63)74)51(76)64-43(35-73)34-40-21-14-11-15-22-40/h11-19,21-26,38-39,43-47,50,73H,20,27-37H2,1-10H3,(H2,63,74)(H,64,76)(H,65,77)(H,66,81)(H,67,84)(H,68,79)(H,69,78)(H,70,80)(H,71,82)/t43?,44-,45?,46-,47?,50-/m1/s1
InChIKey DFRXSMKEOZPQGL-HCIFOWQGSA-N
Mol Weight 1197.4 g/mol
Molecular Formula C62H88N10O14
Exact Mass 1196.648148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HqwIP3Pm0oC
Name N-[(BENZYLOXY)-CARBONYL]-L-LEUCYL-2-METHYLALANYL-L-PROLYL-L-VALYL-2-METHYLALANINYL-2-METHYLALANYL-0-(5)-BENZYL-L-GLUTAM-1-YL-L-GLUTAMINYL-L-PHENYLALANINOL;COMP
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H88N10O14
InChI InChI=1S/C62H88N10O14/c1-38(2)33-46(67-59(84)86-37-42-25-18-13-19-26-42)53(78)69-62(9,10)58(83)72-32-20-27-47(72)54(79)68-50(39(3)4)55(80)70-61(7,8)57(82)71-60(5,6)56(81)66-45(29-31-49(75)85-36-41-23-16-12-17-24-41)52(77)65-44(28-30-48(63)74)51(76)64-43(35-73)34-40-21-14-11-15-22-40/h11-19,21-26,38-39,43-47,50,73H,20,27-37H2,1-10H3,(H2,63,74)(H,64,76)(H,65,77)(H,66,81)(H,67,84)(H,68,79)(H,69,78)(H,70,80)(H,71,82)/t43?,44-,45?,46-,47?,50-/m1/s1
InChIKey DFRXSMKEOZPQGL-HCIFOWQGSA-N
Literature Reference Author P.WIPF,H.HEIMGARTNER
Literature Reference Citation HELV.CHIM.ACTA,73,13(1990)
Literature Reference DOI 10.1002/hlca.19900730103
Molecular Weight 1197.439 g/mol
Solvent CDCl3
Source File Reference UWCS12391
SpectraBase Batch ID LyKjKQU7CQc