#44A;N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-HEXADECYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[E,E-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-

SpectraBase Compound ID	8Yn0ylk6bwt
InChI	InChI=1S/C71H113N9O13S3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-27-42-95-49-58(76-62(82)46-73-61(81)35-23-22-26-40-80-64(84)36-37-65(80)85)67(87)77-56(39-43-94-8)66(86)74-47-63(83)75-57(45-51(2)3)69(89)79-41-29-34-60(79)68(88)78-59(71(91)92-7)50-96-44-38-52(4)30-28-31-53(5)48-93-70(90)54-32-24-25-33-55(54)72-6/h24-25,31-33,36-38,51,56-60,72H,9-23,26-30,34-35,39-50H2,1-8H3,(H,73,81)(H,74,86)(H,75,83)(H,76,82)(H,77,87)(H,78,88)/b52-38+,53-31+/t56-,57+,58+,59-,60+/m1/s1
InChIKey	SFILZQPPNSSPEH-QWBLCUIXSA-N Google Search
Mol Weight	1396.9 g/mol
Molecular Formula	C71H113N9O13S3
Exact Mass	1395.761998 g/mol

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SpectraBase Spectrum ID	5XajtDvzJr
Name	#44A;N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-HEXADECYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[E,E-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C71H113N9O13S3
InChI	InChI=1S/C71H113N9O13S3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-27-42-95-49-58(76-62(82)46-73-61(81)35-23-22-26-40-80-64(84)36-37-65(80)85)67(87)77-56(39-43-94-8)66(86)74-47-63(83)75-57(45-51(2)3)69(89)79-41-29-34-60(79)68(88)78-59(71(91)92-7)50-96-44-38-52(4)30-28-31-53(5)48-93-70(90)54-32-24-25-33-55(54)72-6/h24-25,31-33,36-38,51,56-60,72H,9-23,26-30,34-35,39-50H2,1-8H3,(H,73,81)(H,74,86)(H,75,83)(H,76,82)(H,77,87)(H,78,88)/b52-38+,53-31+/t56-,57+,58+,59-,60+/m1/s1
InChIKey	SFILZQPPNSSPEH-QWBLCUIXSA-N
Literature Reference Author	K.KUHN,D.J.OWEN,B.BADER,A.WITTINGHOFER,J.KUHLMANN,H.WALDMANN
Literature Reference Citation	J.AM.CHEM.SOC.,123,1023(2001)
Literature Reference DOI	10.1021/ja002723o
Molecular Weight	1396.911 g/mol
Solvent	CDCl3
Source File Reference	UWSI23411