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Methyl (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-carboxylate
SpectraBase Compound ID 1si51OjSshs
InChI InChI=1S/C26H28N4O6/c1-15(31)27-23-17-10-6-7-11-20-22(17)30-21(36-20)13-12-18(26(34)35-2)28-24(32)19(29-25(23)33)14-16-8-4-3-5-9-16/h3-11,17-19,23H,12-14H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)/t17?,18-,19-,23-/m0/s1
InChIKey KAJOSSKUOHGKDB-NSMYMAQSSA-N
Mol Weight 492.53 g/mol
Molecular Formula C26H28N4O6
Exact Mass 492.200885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKylL9TZ5z2
Name Methyl (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-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N4O6
InChI InChI=1S/C26H28N4O6/c1-15(31)27-23-17-10-6-7-11-20-22(17)30-21(36-20)13-12-18(26(34)35-2)28-24(32)19(29-25(23)33)14-16-8-4-3-5-9-16/h3-11,17-19,23H,12-14H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)/t17?,18-,19-,23-/m0/s1
InChIKey KAJOSSKUOHGKDB-NSMYMAQSSA-N
Molecular Weight 492.532 g/mol
SMILES N1[C@](C(N[C@@](CCc2nc3c(C=CC=CC3[C@@](C1=O)(NC(=O)C)[H])o2)(C(=O)OC)[H])=O)(Cc1ccccc1)[H]
SPLASH splash10-006x-4600900000-8a4e5cef80f508e8d28d
Source of Spectrum J-67-4891-28
Wiley ID 1570322