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5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-({1-[(1R,2R,7R,8aR)-1,2-dihydroxyoctahydro-7-indolizinyl]-1H-1,2,3-triazol-4-yl}methyl)pentanamide

View entire compound with spectra: 1 MS (GC)

5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-({1-[(1R,2R,7R,8aR)-1,2-dihydroxyoctahydro-7-indolizinyl]-1H-1,2,3-triazol-4-yl}methyl)pentanamide
SpectraBase Compound ID 7hOSMdORHfe
InChI InChI=1S/C21H33N7O4S/c29-16-10-27-6-5-13(7-15(27)20(16)31)28-9-12(25-26-28)8-22-18(30)4-2-1-3-17-19-14(11-33-17)23-21(32)24-19/h9,13-17,19-20,29,31H,1-8,10-11H2,(H,22,30)(H2,23,24,32)/t13-,14+,15-,16-,17+,19+,20-/m1/s1
InChIKey WAZPALURICCBIK-DLNPTOARSA-N
Mol Weight 479.6 g/mol
Molecular Formula C21H33N7O4S
Exact Mass 479.231474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60qHCfHdELm
Name 5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-({1-[(1R,2R,7R,8aR)-1,2-dihydroxyoctahydro-7-indolizinyl]-1H-1,2,3-triazol-4-yl}methyl)pentanamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33N7O4S
InChI InChI=1S/C21H33N7O4S/c29-16-10-27-6-5-13(7-15(27)20(16)31)28-9-12(25-26-28)8-22-18(30)4-2-1-3-17-19-14(11-33-17)23-21(32)24-19/h9,13-17,19-20,29,31H,1-8,10-11H2,(H,22,30)(H2,23,24,32)/t13-,14+,15-,16-,17+,19+,20-/m1/s1
InChIKey WAZPALURICCBIK-DLNPTOARSA-N
Molecular Weight 479.600 g/mol
SMILES N(C(CCCC[C@]1([C@@]2([C@@](NC(N2)=O)(CS1)[H])[H])[H])=O)Cc1nn[n]([C@]2(C[C@@]3([C@]([C@@](CN3CC2)(O)[H])(O)[H])[H])[H])c1
SPLASH splash10-0002-9730000000-381444109f28841804b7
Source of Spectrum F-67-9563-15
Wiley ID 1691363