CYCLO-[TETRA-[3-(N-L-ALANYL-AMINO)-5-(N-DECANOYL-AMINO)-PHENYLCARBONYL]]

SpectraBase Compound ID	K0uizlh6h9h
InChI	InChI=1S/C80H116N12O12/c1-9-13-17-21-25-29-33-37-69(93)85-61-41-57-45-65(49-61)89-73(97)53(5)82-78(102)58-42-62(86-70(94)38-34-30-26-22-18-14-10-2)51-67(46-58)91-75(99)55(7)84-80(104)60-44-64(88-72(96)40-36-32-28-24-20-16-12-4)52-68(48-60)92-76(100)56(8)83-79(103)59-43-63(87-71(95)39-35-31-27-23-19-15-11-3)50-66(47-59)90-74(98)54(6)81-77(57)101/h41-56H,9-40H2,1-8H3,(H,81,101)(H,82,102)(H,83,103)(H,84,104)(H,85,93)(H,86,94)(H,87,95)(H,88,96)(H,89,97)(H,90,98)(H,91,99)(H,92,100)/t53-,54-,55-,56-/m0/s1
InChIKey	QRWFDRTUIVYGKF-YKLCXBGOSA-N Google Search
Mol Weight	1437.9 g/mol
Molecular Formula	C80H116N12O12
Exact Mass	1436.883567 g/mol

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SpectraBase Spectrum ID	CozfPw5xTeF
Name	CYCLO-[TETRA-[3-(N-L-ALANYL-AMINO)-5-(N-DECANOYL-AMINO)-PHENYLCARBONYL]]
Compound Number	2
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C80H116N12O12
InChI	InChI=1S/C80H116N12O12/c1-9-13-17-21-25-29-33-37-69(93)85-61-41-57-45-65(49-61)89-73(97)53(5)82-78(102)58-42-62(86-70(94)38-34-30-26-22-18-14-10-2)51-67(46-58)91-75(99)55(7)84-80(104)60-44-64(88-72(96)40-36-32-28-24-20-16-12-4)52-68(48-60)92-76(100)56(8)83-79(103)59-43-63(87-71(95)39-35-31-27-23-19-15-11-3)50-66(47-59)90-74(98)54(6)81-77(57)101/h41-56H,9-40H2,1-8H3,(H,81,101)(H,82,102)(H,83,103)(H,84,104)(H,85,93)(H,86,94)(H,87,95)(H,88,96)(H,89,97)(H,90,98)(H,91,99)(H,92,100)/t53-,54-,55-,56-/m0/s1
InChIKey	QRWFDRTUIVYGKF-YKLCXBGOSA-N
Literature Reference Author	H.ISHIDA,Z.QI,M.SOKABE,K.DONOWAKI,Y.INOUE
Literature Reference Citation	J.ORG.CHEM.,66,2978(2001)
Literature Reference DOI	10.1021/jo001079t
Molecular Weight	1437.874 g/mol
Solvent	DMSO-D6
Source File Reference	UWVN26413