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N(2)-[(1,2:5,6-Di-O-isopropylidene-alpha.,D-glucofuranos-3-O-yl)acetyl]-N(6)-(benzyloxycarbonyl)-L-Lysin-4-acetamodoanilide
SpectraBase Compound ID tbN3metHbr
InChI InChI=1S/C36H48N4O11/c1-22(41)40(51-30-29(27-21-46-35(2,3)48-27)47-33-31(30)49-36(4,5)50-33)26(32(43)39-28(42)19-23-14-16-25(37)17-15-23)13-9-10-18-38-34(44)45-20-24-11-7-6-8-12-24/h6-8,11-12,14-17,26-27,29-31,33H,9-10,13,18-21,37H2,1-5H3,(H,38,44)(H,39,42,43)/t26?,27-,29?,30-,31+,33+/m1/s1
InChIKey WCBSYWAIXBNZCI-MTBFXOAGSA-N
Mol Weight 712.8 g/mol
Molecular Formula C36H48N4O11
Exact Mass 712.331958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ih6FY8NqlfU
Name N(2)-[(1,2:5,6-Di-O-isopropylidene-alpha.,D-glucofuranos-3-O-yl)acetyl]-N(6)-(benzyloxycarbonyl)-L-Lysin-4-acetamodoanilide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48N4O11
InChI InChI=1S/C36H48N4O11/c1-22(41)40(51-30-29(27-21-46-35(2,3)48-27)47-33-31(30)49-36(4,5)50-33)26(32(43)39-28(42)19-23-14-16-25(37)17-15-23)13-9-10-18-38-34(44)45-20-24-11-7-6-8-12-24/h6-8,11-12,14-17,26-27,29-31,33H,9-10,13,18-21,37H2,1-5H3,(H,38,44)(H,39,42,43)/t26?,27-,29?,30-,31+,33+/m1/s1
InChIKey WCBSYWAIXBNZCI-MTBFXOAGSA-N
Molecular Weight 712.797 g/mol
SMILES N(C(C(CCCCNC(=O)OCc1ccccc1)N(O[C@]1([C@]2([C@](OC(O2)(C)C)(OC1[C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])C(=O)C)=O)C(Cc1ccc(cc1)N)=O
SPLASH splash10-0zfr-4900000000-4ebdb4a83b020202f042
Source of Spectrum F-47-8849-16
Synonyms benzyl N-[5-(N-{[(3aS,6R,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl]oxy}acetamido)-5-{[2-(4-aminophenyl)acetyl]carbamoyl}pentyl]carbamate
Wiley ID 1415401