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(7S,10S,13S)-7-(Acetylamino)-10-(benzyl)-8,11-dioxo-19-oxa-9,12,17-triazatricyclo[14.2.1.0(6,18)]nonadeca-1(18),2,4,16-tetraene-13-carboxamide
SpectraBase Compound ID ExNnwShJ1Vw
InChI InChI=1S/C25H27N5O5/c1-14(31)27-22-16-9-5-6-10-19-21(16)30-20(35-19)12-11-17(23(26)32)28-24(33)18(29-25(22)34)13-15-7-3-2-4-8-15/h2-10,16-18,22H,11-13H2,1H3,(H2,26,32)(H,27,31)(H,28,33)(H,29,34)/t16?,17-,18-,22-/m0/s1
InChIKey PJFOJLXKRDNBMS-KGFKZWSBSA-N
Mol Weight 477.52 g/mol
Molecular Formula C25H27N5O5
Exact Mass 477.201219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pePRcHUVL9
Name (7S,10S,13S)-7-(Acetylamino)-10-(benzyl)-8,11-dioxo-19-oxa-9,12,17-triazatricyclo[14.2.1.0(6,18)]nonadeca-1(18),2,4,16-tetraene-13-carboxamide
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Formula C25H27N5O5
InChI InChI=1S/C25H27N5O5/c1-14(31)27-22-16-9-5-6-10-19-21(16)30-20(35-19)12-11-17(23(26)32)28-24(33)18(29-25(22)34)13-15-7-3-2-4-8-15/h2-10,16-18,22H,11-13H2,1H3,(H2,26,32)(H,27,31)(H,28,33)(H,29,34)/t16?,17-,18-,22-/m0/s1
InChIKey PJFOJLXKRDNBMS-KGFKZWSBSA-N
Molecular Weight 477.521 g/mol
SMILES N1[C@](C(N[C@](C(=O)N)(CCc2nc3c(C=CC=CC3[C@@](C1=O)(NC(=O)C)[H])o2)[H])=O)(Cc1ccccc1)[H]
SPLASH splash10-00ug-2391600000-62f2d0482794134747c1
Source of Spectrum J-67-4891-29
Wiley ID 1570284