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Methyl (7S,10S,13S)-10-Benzyl-7-{[(benzyloxy)carbonyl]amino}-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 KRtXC2twIy3
InChI InChI=1S/C32H32N4O7/c1-41-31(39)23-16-17-26-35-27-22(14-8-9-15-25(27)43-26)28(36-32(40)42-19-21-12-6-3-7-13-21)30(38)34-24(29(37)33-23)18-20-10-4-2-5-11-20/h2-15,22-24,28H,16-19H2,1H3,(H,33,37)(H,34,38)(H,36,40)/t22?,23-,24-,28-/m0/s1
InChIKey VXRKBSMCRBDUFT-CJDMLRBHSA-N
Mol Weight 584.6 g/mol
Molecular Formula C32H32N4O7
Exact Mass 584.227099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPYok6C1GFp
Name Methyl (7S,10S,13S)-10-Benzyl-7-{[(benzyloxy)carbonyl]amino}-8,11-dioxo-19-oxa-9,12,17-triazatricyclo[14.2.1.0(6,18)]nonadeca-1(18),2,4,16-tetraene-13-carboxylate
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Formula C32H32N4O7
InChI InChI=1S/C32H32N4O7/c1-41-31(39)23-16-17-26-35-27-22(14-8-9-15-25(27)43-26)28(36-32(40)42-19-21-12-6-3-7-13-21)30(38)34-24(29(37)33-23)18-20-10-4-2-5-11-20/h2-15,22-24,28H,16-19H2,1H3,(H,33,37)(H,34,38)(H,36,40)/t22?,23-,24-,28-/m0/s1
InChIKey VXRKBSMCRBDUFT-CJDMLRBHSA-N
Molecular Weight 584.629 g/mol
SMILES N1[C@](C(N[C@@](CCc2nc3c(C=CC=CC3[C@@](C1=O)(NC(=O)OCc1ccccc1)[H])o2)(C(=O)OC)[H])=O)(Cc1ccccc1)[H]
SPLASH splash10-0006-9002240000-8ce5d33e9abb6fd94c74
Source of Spectrum J-67-4890-25
Wiley ID 1570325