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Cyclohexanepropanoic acid, .alpha.-amino-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.beta.(R*),4.beta.]]-
SpectraBase Compound ID 7DfNVBcSxHi
InChI InChI=1S/C31H54N2O4S/c1-30(2)24-18-19-31(30,28(21-24)37-29(34)27(32)20-23-12-6-3-7-13-23)22-38(35,36)33(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h23-28H,3-22,32H2,1-2H3/t24-,27?,28-,31+/m0/s1
InChIKey NQJAFUZJJJSGDX-NGYYLXSOSA-N
Mol Weight 550.8 g/mol
Molecular Formula C31H54N2O4S
Exact Mass 550.380429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyldYRccrJb
Name Cyclohexanepropanoic acid, .alpha.-amino-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.beta.(R*),4.beta.]]-
CAS Registry Number 110449-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H54N2O4S
InChI InChI=1S/C31H54N2O4S/c1-30(2)24-18-19-31(30,28(21-24)37-29(34)27(32)20-23-12-6-3-7-13-23)22-38(35,36)33(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h23-28H,3-22,32H2,1-2H3/t24-,27?,28-,31+/m0/s1
InChIKey NQJAFUZJJJSGDX-NGYYLXSOSA-N
Molecular Weight 550.843 g/mol
SMILES NC(C(O[C@@]1([C@@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@@]([H])(CC2)C1)(C)C)[H])=O)CC1CCCCC1
SPLASH splash10-057i-3962000000-7604e998d5b14289c0e7
Source of Spectrum F-44-5550-12
Synonyms (1S,2S,4S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl 2-amino-3-cyclohexylpropanoate [(1S,2R)-10(N,N-dicyclohexylaminosulfonyl)bron-2-yl](2S)-2-amino-3-cyclohexylpropionate
Wiley ID 1405740