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N-[(N-BENZYLOXYCARBONYL-O(ALPHA)-BENZYL-(S)-GLUTAMOYL)-(2RS)-(+/-)-2-AMINO-(DI-N-BUTOXYPHOSPHINYL)-ACETYL]-GLYCINE-TERT.-BUTYLESTER
SpectraBase Compound ID GjpwoB6YRU7
InChI InChI=1S/C72H102N6O22P2/c1-9-13-43-95-101(89,96-44-14-10-2)65(77-59(79)39-37-57(67(85)91-49-53-29-21-17-22-30-53)75-69(87)93-51-55-33-25-19-26-34-55)63(83)73-47-61(81)99-71(5,6)41-42-72(7,8)100-62(82)48-74-64(84)66(102(90,97-45-15-11-3)98-46-16-12-4)78-60(80)40-38-58(68(86)92-50-54-31-23-18-24-32-54)76-70(88)94-52-56-35-27-20-28-36-56/h17-36,57-58,65-66H,9-16,37-52H2,1-8H3,(H,73,83)(H,74,84)(H,75,87)(H,76,88)(H,77,79)(H,78,80)
InChIKey AVQGZUVQIRFYDX-UHFFFAOYSA-N
Mol Weight 1465.6 g/mol
Molecular Formula C72H102N6O22P2
Exact Mass 1464.652243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkRogIi1wlB
Name N-[(N-BENZYLOXYCARBONYL-O(ALPHA)-BENZYL-(S)-GLUTAMOYL)-(2RS)-(+/-)-2-AMINO-(DI-N-BUTOXYPHOSPHINYL)-ACETYL]-GLYCINE-TERT.-BUTYLESTER
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H102N6O22P2
InChI InChI=1S/C72H102N6O22P2/c1-9-13-43-95-101(89,96-44-14-10-2)65(77-59(79)39-37-57(67(85)91-49-53-29-21-17-22-30-53)75-69(87)93-51-55-33-25-19-26-34-55)63(83)73-47-61(81)99-71(5,6)41-42-72(7,8)100-62(82)48-74-64(84)66(102(90,97-45-15-11-3)98-46-16-12-4)78-60(80)40-38-58(68(86)92-50-54-31-23-18-24-32-54)76-70(88)94-52-56-35-27-20-28-36-56/h17-36,57-58,65-66H,9-16,37-52H2,1-8H3,(H,73,83)(H,74,84)(H,75,87)(H,76,88)(H,77,79)(H,78,80)
InChIKey AVQGZUVQIRFYDX-UHFFFAOYSA-N
Literature Reference Author T.KUNZE
Literature Reference Citation ARCH.PHARM.,329,503(1996)
Literature Reference DOI 10.1002/ardp.19963291106
Molecular Weight 1465.576 g/mol
Solvent CDCl3