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17(R)-5-[4-[(tert-Butoxycarbonyl)amino]butyl]-1,5-diazabicyclo[15.4.0]henicosan-6-one
SpectraBase Compound ID LJL9t9UoquM
InChI InChI=1S/C28H53N3O3/c1-28(2,3)34-27(33)29-20-13-15-22-31-24-16-23-30-21-14-12-18-25(30)17-10-8-6-4-5-7-9-11-19-26(31)32/h25H,4-24H2,1-3H3,(H,29,33)/t25-/m1/s1
InChIKey LCQDJJOGTWRRKV-RUZDIDTESA-N
Mol Weight 479.8 g/mol
Molecular Formula C28H53N3O3
Exact Mass 479.408693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqTMRhn0gXe
Name 17(R)-5-[4-[(tert-Butoxycarbonyl)amino]butyl]-1,5-diazabicyclo[15.4.0]henicosan-6-one
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Formula C28H53N3O3
InChI InChI=1S/C28H53N3O3/c1-28(2,3)34-27(33)29-20-13-15-22-31-24-16-23-30-21-14-12-18-25(30)17-10-8-6-4-5-7-9-11-19-26(31)32/h25H,4-24H2,1-3H3,(H,29,33)/t25-/m1/s1
InChIKey LCQDJJOGTWRRKV-RUZDIDTESA-N
Molecular Weight 479.750 g/mol
SMILES N(C(OC(C)(C)C)=O)CCCCN1C(=O)CCCCCCCCCC[C@]2(N(CCC1)CCCC2)[H]
SPLASH splash10-0229-0900000000-b8c1de48109fe7057ddf
Source of Spectrum J-61-1029-33
Synonyms tert-Butyl 4-((15aR)-5-oxooctadecahydropyrido[1,2-e][1,5]diazacycloheptadecin-4(1H)-yl)butylcarbamate N-[4-[(17R)-6-oxo-1,5-diazabicyclo[15.4.0]heneicosan-5-yl]butyl]carbamic acid tert-butyl ester tert-Butyl N-[4-[(17R)-6-oxo-1,5-diazabicyclo[15.4.0]henicosan-5-yl]butyl]carbamate tert-Butyl N-[4-[(17R)-6-oxidanylidene-1,5-diazabicyclo[15.4.0]henicosan-5-yl]butyl]carbamate
Wiley ID 1395048