| SpectraBase Compound ID | Z3YMKWSdZn |
|---|---|
| InChI | InChI=1S/C71H106N10O13/c1-68(2,3)91-64(87)76-56(45-51-29-17-13-18-30-51)60(83)72-37-25-41-80(42-26-38-73-61(84)57(46-52-31-19-14-20-32-52)77-65(88)92-69(4,5)6)49-55(50-82)81(43-27-39-74-62(85)58(47-53-33-21-15-22-34-53)78-66(89)93-70(7,8)9)44-28-40-75-63(86)59(48-54-35-23-16-24-36-54)79-67(90)94-71(10,11)12/h13-24,29-36,55-59,82H,25-28,37-50H2,1-12H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,79,90)/t55-,56?,57?,58?,59?/m0/s1 |
| InChIKey | GNOCAUQNCQSWTN-UQCAZHFISA-N |
| Mol Weight | 1307.7 g/mol |
| Molecular Formula | C71H106N10O13 |
| Exact Mass | 1306.794084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D7gV2AnBs6G |
|---|---|
| Name | N,N',N,N'-TETRAKIS-(BOC-L-PHENYLALANYL-3-AMINOPROPYL)-L-ALPHA,BETA-DIAMINOPROPANOL |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H106N10O13 |
| InChI | InChI=1S/C71H106N10O13/c1-68(2,3)91-64(87)76-56(45-51-29-17-13-18-30-51)60(83)72-37-25-41-80(42-26-38-73-61(84)57(46-52-31-19-14-20-32-52)77-65(88)92-69(4,5)6)49-55(50-82)81(43-27-39-74-62(85)58(47-53-33-21-15-22-34-53)78-66(89)93-70(7,8)9)44-28-40-75-63(86)59(48-54-35-23-16-24-36-54)79-67(90)94-71(10,11)12/h13-24,29-36,55-59,82H,25-28,37-50H2,1-12H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,79,90)/t55-,56?,57?,58?,59?/m0/s1 |
| InChIKey | GNOCAUQNCQSWTN-UQCAZHFISA-N |
| Literature Reference Author | P.POLCYN,M.JURCZAK,A.RAJNISZ,J.SOLECKA,Z.URBANCZYK-LIPKOWSKA |
| Literature Reference Citation | MOLECULES,14,3881(2009) |
| Literature Reference DOI | 10.3390/molecules14103881 |
| Molecular Weight | 1307.682 g/mol |
| Sample ID | 69832 |
| Solvent | Unknown |