For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5,11-Dihydro-11-[4-[2-(N-[3-tert-butyloxycarbonyl-amino-1-oxopropyl]amino)ethyl]piperazinoacetyl-pyrido[2,3-B][1,4]benzodiazepin-6-one

View entire compound with spectra: 1 NMR

5,11-Dihydro-11-[4-[2-(N-[3-tert-butyloxycarbonyl-amino-1-oxopropyl]amino)ethyl]piperazinoacetyl-pyrido[2,3-B][1,4]benzodiazepin-6-one
SpectraBase Compound ID IGlkPCn7bjn
InChI InChI=1S/C28H37N7O5/c1-28(2,3)40-27(39)31-12-10-23(36)29-13-14-33-15-17-34(18-16-33)19-24(37)35-22-9-5-4-7-20(22)26(38)32-21-8-6-11-30-25(21)35/h4-9,11H,10,12-19H2,1-3H3,(H,29,36)(H,31,39)(H,32,38)
InChIKey KKXXFAOJNXXFIB-UHFFFAOYSA-N
Mol Weight 551.6 g/mol
Molecular Formula C28H37N7O5
Exact Mass 551.285617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AGCJjWbIM7t
Name 5,11-Dihydro-11-[4-[2-(N-[3-tert-butyloxycarbonyl-amino-1-oxopropyl]amino)ethyl]piperazinoacetyl-pyrido[2,3-B][1,4]benzodiazepin-6-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 551.285617314 u
Formula C28H37N7O5
InChI InChI=1S/C28H37N7O5/c1-28(2,3)40-27(39)31-12-10-23(36)29-13-14-33-15-17-34(18-16-33)19-24(37)35-22-9-5-4-7-20(22)26(38)32-21-8-6-11-30-25(21)35/h4-9,11H,10,12-19H2,1-3H3,(H,29,36)(H,31,39)(H,32,38)
InChIKey KKXXFAOJNXXFIB-UHFFFAOYSA-N
Molecular Weight 551.648 g/mol
SMILES C12=C(N(C3=C(NC2=O)C=CC=N3)C(CN2CCN(CC2)CCNC(=O)CCNC(OC(C)(C)C)=O)=O)C=CC=C1