Methyl 1-{2'-[(9H-fluoren-9''-ylmethoxy)carbonyl]amino-(2"'-propanoyl)}aminomethyl}-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate

SpectraBase Compound ID	JnkSNprShRM
InChI	InChI=1S/C36H40N2O5/c1-23-19-31(25-13-7-6-8-14-25)36(20-24(23)2,33(40)42-5)22-37-32(39)35(3,4)38-34(41)43-21-30-28-17-11-9-15-26(28)27-16-10-12-18-29(27)30/h6-18,30-31H,19-22H2,1-5H3,(H,37,39)(H,38,41)/t31-,36-/m0/s1
InChIKey	JBQWHHAAZQBCOW-NWWLCHBLSA-N Google Search
Mol Weight	580.7 g/mol
Molecular Formula	C36H40N2O5
Exact Mass	580.293722 g/mol

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SpectraBase Spectrum ID	GbvkIqTupaf
Name	Methyl 1-{2'-[(9H-fluoren-9''-ylmethoxy)carbonyl]amino-(2"'-propanoyl)}aminomethyl}-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H40N2O5
InChI	InChI=1S/C36H40N2O5/c1-23-19-31(25-13-7-6-8-14-25)36(20-24(23)2,33(40)42-5)22-37-32(39)35(3,4)38-34(41)43-21-30-28-17-11-9-15-26(28)27-16-10-12-18-29(27)30/h6-18,30-31H,19-22H2,1-5H3,(H,37,39)(H,38,41)/t31-,36-/m0/s1
InChIKey	JBQWHHAAZQBCOW-NWWLCHBLSA-N
Molecular Weight	580.725 g/mol
SMILES	N(C(C(NC(OCC1c2c(cccc2)-c2c1cccc2)=O)(C)C)=O)C[C@@]1([C@@](CC(=C(C1)C)C)(c1ccccc1)[H])C(=O)OC
SPLASH	splash10-016r-0901000000-603a691206b7f57d5851
Source of Spectrum	H-2005-912-5
Synonyms	(1R,6S)-1-[[[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-methyl-1-oxopropyl]amino]methyl]-3,4-dimethyl-6-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester Methyl (1R,6S)-1-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]methyl]-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate Methyl (1R,6S)-1-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-propanoyl]amino]methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate
Wiley ID	1562411