(2R)-2-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]amino]-4-phenyl-1-butanesulfonic acid

SpectraBase Compound ID	KxVT6eG4LW3
InChI	InChI=1S/C22H36N2O4S/c1-27-17-21-11-8-16-24(21)23-20(15-14-19-9-4-2-5-10-19)18-29(25,26)28-22-12-6-3-7-13-22/h2,4-5,9-10,20-23H,3,6-8,11-18H2,1H3/t20-,21+/m1/s1
InChIKey	AWXLFIDACARRQQ-RTWAWAEBSA-N Google Search
Mol Weight	424.6 g/mol
Molecular Formula	C22H36N2O4S
Exact Mass	424.239579 g/mol

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SpectraBase Spectrum ID	L6MJE5WTcSd
Name	(2R)-2-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]amino]-4-phenyl-1-butanesulfonic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H36N2O4S
InChI	InChI=1S/C22H36N2O4S/c1-27-17-21-11-8-16-24(21)23-20(15-14-19-9-4-2-5-10-19)18-29(25,26)28-22-12-6-3-7-13-22/h2,4-5,9-10,20-23H,3,6-8,11-18H2,1H3/t20-,21+/m1/s1
InChIKey	AWXLFIDACARRQQ-RTWAWAEBSA-N
Molecular Weight	424.600 g/mol
SMILES	N(N1[C@](COC)(CCC1)[H])[C@@](CS(OC1CCCCC1)(=O)=O)(CCc1ccccc1)[H]
SPLASH	splash10-0002-0191000000-33a82a1c5ea534b41e1b
Source of Spectrum	C5-2003-1861-4
Synonyms	(2R)-2-[[(2S)-2-(methoxymethyl)pyrrolidino]amino]-4-phenyl-butane-1-sulfonic acid cyclohexyl ester cyclohexyl (2R)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-4-phenyl-butane-1-sulfonate
Wiley ID	1615771