![5,11-Dihydro-11-[4-[2-(N-[4-T-butyloxycarbonyl-amino-1-oxobutyl]amino)ethyl]-1-piperazinoacetyl-pyrido[2,3-B][1,4]-benzodiazepin-6-one](/api/spectrum/6q8NK7vt89S/structure.png?h=300&w=458 "5,11-Dihydro-11-[4-[2-(N-[4-T-butyloxycarbonyl-amino-1-oxobutyl]amino)ethyl]-1-piperazinoacetyl-pyrido[2,3-B][1,4]-benzodiazepin-6-one")
| SpectraBase Compound ID | Kt5pKJUpJax |
|---|---|
| InChI | InChI=1S/C29H39N7O5/c1-29(2,3)41-28(40)32-13-7-11-24(37)30-14-15-34-16-18-35(19-17-34)20-25(38)36-23-10-5-4-8-21(23)27(39)33-22-9-6-12-31-26(22)36/h4-6,8-10,12H,7,11,13-20H2,1-3H3,(H,30,37)(H,32,40)(H,33,39) |
| InChIKey | MEXZQMUWOXIPKZ-UHFFFAOYSA-N |
| Mol Weight | 565.7 g/mol |
| Molecular Formula | C29H39N7O5 |
| Exact Mass | 565.301267 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6q8NK7vt89S |
|---|---|
| Name | 5,11-Dihydro-11-[4-[2-(N-[4-T-butyloxycarbonyl-amino-1-oxobutyl]amino)ethyl]-1-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 | 565.301267379 u |
| Formula | C29H39N7O5 |
| InChI | InChI=1S/C29H39N7O5/c1-29(2,3)41-28(40)32-13-7-11-24(37)30-14-15-34-16-18-35(19-17-34)20-25(38)36-23-10-5-4-8-21(23)27(39)33-22-9-6-12-31-26(22)36/h4-6,8-10,12H,7,11,13-20H2,1-3H3,(H,30,37)(H,32,40)(H,33,39) |
| InChIKey | MEXZQMUWOXIPKZ-UHFFFAOYSA-N |
| Molecular Weight | 565.675 g/mol |
| SMILES | C12=C(N(C3=C(NC2=O)C=CC=N3)C(CN2CCN(CC2)CCNC(=O)CCCNC(=O)OC(C)(C)C)=O)C=CC=C1 |