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5-[N,N-Bis(2-hydroxyethyl)amino]-2,4-[N,N1-bis(tert-Butoxycarbonyl)diamino]benzamide
SpectraBase Compound ID BZtOOvzWPvu
InChI InChI=1S/C21H34N4O7/c1-20(2,3)31-18(29)23-14-12-15(24-19(30)32-21(4,5)6)16(11-13(14)17(22)28)25(7-9-26)8-10-27/h11-12,26-27H,7-10H2,1-6H3,(H2,22,28)(H,23,29)(H,24,30)
InChIKey ICNFUCDEAUXYNG-UHFFFAOYSA-N
Mol Weight 454.5 g/mol
Molecular Formula C21H34N4O7
Exact Mass 454.242749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uYUwAkqa08
Name 5-[N,N-Bis(2-hydroxyethyl)amino]-2,4-[N,N1-bis(tert-Butoxycarbonyl)diamino]benzamide
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Formula C21H34N4O7
InChI InChI=1S/C21H34N4O7/c1-20(2,3)31-18(29)23-14-12-15(24-19(30)32-21(4,5)6)16(11-13(14)17(22)28)25(7-9-26)8-10-27/h11-12,26-27H,7-10H2,1-6H3,(H2,22,28)(H,23,29)(H,24,30)
InChIKey ICNFUCDEAUXYNG-UHFFFAOYSA-N
Molecular Weight 454.524 g/mol
SMILES OCCN(c1c(cc(c(C(=O)N)c1)NC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)CCO
SPLASH splash10-0g4i-0191000000-c5edc053f2d12713be55
Source of Spectrum E1-38-1237-8
Synonyms N-[2-[bis(2-hydroxyethyl)amino]-4-carbamoyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]carbamic acid tert-butyl ester tert-Butyl N-[2-[bis(2-hydroxyethyl)amino]-4-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate tert-Butyl N-[2-[bis(2-hydroxyethyl)amino]-5-(tert-butoxycarbonylamino)-4-carbamoyl-phenyl]carbamate tert-Butyl N-[2-aminocarbonyl-4-[bis(2-hydroxyethyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
Wiley ID 1598257