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Butanoic acid, 2-amino-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.beta.(R*),4.beta.]]-

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Butanoic acid, 2-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 FLr7ZZ5G93S
InChI InChI=1S/C26H46N2O4S/c1-4-22(27)24(29)32-23-17-19-15-16-26(23,25(19,2)3)18-33(30,31)28(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h19-23H,4-18,27H2,1-3H3/t19-,22+,23-,26-/m0/s1
InChIKey CLIHMKZSPKZTNI-AOXNNKNRSA-N
Mol Weight 482.7 g/mol
Molecular Formula C26H46N2O4S
Exact Mass 482.317829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67v5BsEK0u6
Name Butanoic acid, 2-amino-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.beta.(R*),4.beta.]]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.317829139 u
Formula C26H46N2O4S
InChI InChI=1S/C26H46N2O4S/c1-4-22(27)24(29)32-23-17-19-15-16-26(23,25(19,2)3)18-33(30,31)28(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h19-23H,4-18,27H2,1-3H3/t19-,22+,23-,26-/m0/s1
InChIKey CLIHMKZSPKZTNI-AOXNNKNRSA-N
Molecular Weight 482.724 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@@]12C([C@@]([H])(CC2)C[C@@]1(OC(=O)[C@](N)(CC)[H])[H])(C)C