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2-(N-(tert-Butoxycarbonyl)-N-{2-[(tert-butoxycarbonyl)amino]ethyl}aminomethyl)-N-[2-(imidazol-4-yl)-1-(methoxycarbonyl)ethyl]pyridine-6-carboxamide
SpectraBase Compound ID G0SUXIGrnnF
InChI InChI=1S/C26H38N6O7/c1-25(2,3)38-23(35)28-11-12-32(24(36)39-26(4,5)6)15-17-9-8-10-19(30-17)21(33)31-20(22(34)37-7)13-18-14-27-16-29-18/h8-10,14,16,20H,11-13,15H2,1-7H3,(H,27,29)(H,28,35)(H,31,33)
InChIKey NTVGVZXWNJMGGF-UHFFFAOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C26H38N6O7
Exact Mass 546.280198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5PRemhTkFP
Name 2-(N-(tert-Butoxycarbonyl)-N-{2-[(tert-butoxycarbonyl)amino]ethyl}aminomethyl)-N-[2-(imidazol-4-yl)-1-(methoxycarbonyl)ethyl]pyridine-6-carboxamide
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Formula C26H38N6O7
InChI InChI=1S/C26H38N6O7/c1-25(2,3)38-23(35)28-11-12-32(24(36)39-26(4,5)6)15-17-9-8-10-19(30-17)21(33)31-20(22(34)37-7)13-18-14-27-16-29-18/h8-10,14,16,20H,11-13,15H2,1-7H3,(H,27,29)(H,28,35)(H,31,33)
InChIKey NTVGVZXWNJMGGF-UHFFFAOYSA-N
Molecular Weight 546.625 g/mol
SMILES N(C(c1nc(CN(CCNC(OC(C)(C)C)=O)C(OC(C)(C)C)=O)ccc1)=O)C(Cc1c[nH]cn1)C(=O)OC
SPLASH splash10-00kb-0000960000-0213850efd1ffa407d45
Source of Spectrum KC-0-2347-14
Synonyms 2-(N-(tert-Btuoxycarbonyl)-N-{2-[(tert-butoxycarbonyl)amino]ethyl}aminomethyl)-N-[2-(imidazol-4-yl)-1-(methoxycarbonyl)ethyl]pyridine-6-carboxamide Methyl 2-[({6-[((tert-butoxycarbonyl){2-[(tert-butoxycarbonyl)amino]ethyl}amino)methyl]-2-pyridinyl}carbonyl)amino]-3-(1H-imidazol-4-yl)propanoate
Wiley ID 828885