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Methyl (7S,10S,13S)-10-(benzylethanoate)-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 3LV7aotdJWe
InChI InChI=1S/C34H34N4O9/c1-44-33(42)24-15-16-28-38-30-23(13-8-14-27(30)47-28)17-25(37-34(43)46-20-22-11-6-3-7-12-22)31(40)36-26(32(41)35-24)18-29(39)45-19-21-9-4-2-5-10-21/h2-14,24-26H,15-20H2,1H3,(H,35,41)(H,36,40)(H,37,43)/t24-,25-,26-/m0/s1
InChIKey ANAKBKNEYCRPAM-GSDHBNRESA-N
Mol Weight 642.7 g/mol
Molecular Formula C34H34N4O9
Exact Mass 642.232579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVhPqzqkfPY
Name Methyl (7S,10S,13S)-10-(Benzylethanoate)-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 C34H34N4O9
InChI InChI=1S/C34H34N4O9/c1-44-33(42)24-15-16-28-38-30-23(13-8-14-27(30)47-28)17-25(37-34(43)46-20-22-11-6-3-7-12-22)31(40)36-26(32(41)35-24)18-29(39)45-19-21-9-4-2-5-10-21/h2-14,24-26H,15-20H2,1H3,(H,35,41)(H,36,40)(H,37,43)/t24-,25-,26-/m0/s1
InChIKey ANAKBKNEYCRPAM-GSDHBNRESA-N
Molecular Weight 642.665 g/mol
SMILES N1[C@](C(N[C@@](CCc2nc3c(C[C@@](C1=O)(NC(=O)OCc1ccccc1)[H])cccc3o2)(C(=O)OC)[H])=O)(CC(=O)OCc1ccccc1)[H]
SPLASH splash10-0007-9710101000-2d15a0f8c4c6a51fa5b3
Source of Spectrum J-67-4890-26
Wiley ID 1570324