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[(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)born-2-yl][(2S)-2-(N,N'-di-t-butoxycarbonyl)hydrazinohexanoate]

View entire compound with spectra: 1 NMR

[(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)born-2-yl][(2S)-2-(N,N'-di-t-butoxycarbonyl)hydrazinohexanoate]
SpectraBase Compound ID EvhcZK5xkjl
InChI InChI=1S/C38H67N3O8S/c1-10-11-22-30(40(34(44)49-36(5,6)7)39-33(43)48-35(2,3)4)32(42)47-31-25-27-23-24-38(31,37(27,8)9)26-50(45,46)41(28-18-14-12-15-19-28)29-20-16-13-17-21-29/h27-31H,10-26H2,1-9H3,(H,39,43)/t27-,30?,31-,38-/m0/s1
InChIKey DFROGWUWBWZKFH-QOWQDPLKSA-N
Mol Weight 726.0 g/mol
Molecular Formula C38H67N3O8S
Exact Mass 725.464887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HUn6fSQahP4
Name [(1S,2R)-10-(N,N-Dicyclohexylaminosulfonyl)born-2-yl][(2S)-2-(N,N'-di-T-butoxycarbonyl)hydrazinohexanoate]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 725.464887295 u
Formula C38H67N3O8S
InChI InChI=1S/C38H67N3O8S/c1-10-11-22-30(40(34(44)49-36(5,6)7)39-33(43)48-35(2,3)4)32(42)47-31-25-27-23-24-38(31,37(27,8)9)26-50(45,46)41(28-18-14-12-15-19-28)29-20-16-13-17-21-29/h27-31H,10-26H2,1-9H3,(H,39,43)/t27-,30?,31-,38-/m0/s1
InChIKey DFROGWUWBWZKFH-QOWQDPLKSA-N
Molecular Weight 726.027 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@]12C([C@@](CC2)(C[C@@]1(OC(C(N(C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)CCCC)=O)[H])[H])(C)C