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N-[(N-BENZYLOXYCARBONYL-O(ALPHA)-BENZYL-(S)-GLUTAMOYL)-(2RS)-(+/-)-2-AMINO-(DIISOPROPOXYPHOSPHINYL)-ACETYL]-GLYCINE-TERT.-BUTYLESTER
SpectraBase Compound ID 3TPqYLNkxle
InChI InChI=1S/C68H94N6O22P2/c1-45(2)93-97(85,94-46(3)4)61(73-55(75)35-33-53(63(81)87-41-49-25-17-13-18-26-49)71-65(83)89-43-51-29-21-15-22-30-51)59(79)69-39-57(77)91-67(9,10)37-38-68(11,12)92-58(78)40-70-60(80)62(98(86,95-47(5)6)96-48(7)8)74-56(76)36-34-54(64(82)88-42-50-27-19-14-20-28-50)72-66(84)90-44-52-31-23-16-24-32-52/h13-32,45-48,53-54,61-62H,33-44H2,1-12H3,(H,69,79)(H,70,80)(H,71,83)(H,72,84)(H,73,75)(H,74,76)
InChIKey ZGABCEWNSLKFFB-UHFFFAOYSA-N
Mol Weight 1409.5 g/mol
Molecular Formula C68H94N6O22P2
Exact Mass 1408.589643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5jxqbn8cah
Name N-[(N-BENZYLOXYCARBONYL-O(ALPHA)-BENZYL-(S)-GLUTAMOYL)-(2RS)-(+/-)-2-AMINO-(DIISOPROPOXYPHOSPHINYL)-ACETYL]-GLYCINE-TERT.-BUTYLESTER
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H94N6O22P2
InChI InChI=1S/C68H94N6O22P2/c1-45(2)93-97(85,94-46(3)4)61(73-55(75)35-33-53(63(81)87-41-49-25-17-13-18-26-49)71-65(83)89-43-51-29-21-15-22-30-51)59(79)69-39-57(77)91-67(9,10)37-38-68(11,12)92-58(78)40-70-60(80)62(98(86,95-47(5)6)96-48(7)8)74-56(76)36-34-54(64(82)88-42-50-27-19-14-20-28-50)72-66(84)90-44-52-31-23-16-24-32-52/h13-32,45-48,53-54,61-62H,33-44H2,1-12H3,(H,69,79)(H,70,80)(H,71,83)(H,72,84)(H,73,75)(H,74,76)
InChIKey ZGABCEWNSLKFFB-UHFFFAOYSA-N
Literature Reference Author T.KUNZE
Literature Reference Citation ARCH.PHARM.,329,503(1996)
Literature Reference DOI 10.1002/ardp.19963291106
Molecular Weight 1409.469 g/mol
Solvent CDCl3