![N,N,N'-TRIS-[(N(ALPHA)-2-CHLOROBENZYLOXYCARBONYL)-L-LYSIL-3-AMINOPROPYL]-L-DIAMINOBUTYRO-BENZYLAMIDE-PENTAHYDROCHLORIDE](/api/spectrum/Cp2yETrjuHE/structure.png?h=300&w=458 "N,N,N'-TRIS-[(N(ALPHA)-2-CHLOROBENZYLOXYCARBONYL)-L-LYSIL-3-AMINOPROPYL]-L-DIAMINOBUTYRO-BENZYLAMIDE-PENTAHYDROCHLORIDE")
| SpectraBase Compound ID | 5RxSwCsKEJF |
|---|---|
| InChI | InChI=1S/C62H89Cl3N12O10.5ClH/c63-49-24-7-4-21-46(49)42-85-60(82)74-53(27-10-13-31-66)57(79)70-35-16-34-69-52(56(78)73-41-45-19-2-1-3-20-45)30-40-77(38-17-36-71-58(80)54(28-11-14-32-67)75-61(83)86-43-47-22-5-8-25-50(47)64)39-18-37-72-59(81)55(29-12-15-33-68)76-62(84)87-44-48-23-6-9-26-51(48)65;;;;;/h1-9,19-26,52-55,69H,10-18,27-44,66-68H2,(H,70,79)(H,71,80)(H,72,81)(H,73,78)(H,74,82)(H,75,83)(H,76,84);5*1H/t52-,53-,54-,55-;;;;;/m0...../s1 |
| InChIKey | PBWRLSSRXPARCZ-YRPUDGEHSA-N |
| Mol Weight | 1451.13 g/mol |
| Molecular Formula | C62H94Cl8N12O10 |
| Exact Mass | 1446.472409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cp2yETrjuHE |
|---|---|
| Name | N,N,N'-TRIS-[(N(ALPHA)-2-CHLOROBENZYLOXYCARBONYL)-L-LYSIL-3-AMINOPROPYL]-L-DIAMINOBUTYRO-BENZYLAMIDE-PENTAHYDROCHLORIDE |
| Compound Number | 7F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H94Cl8N12O10 |
| InChI | InChI=1S/C62H89Cl3N12O10.5ClH/c63-49-24-7-4-21-46(49)42-85-60(82)74-53(27-10-13-31-66)57(79)70-35-16-34-69-52(56(78)73-41-45-19-2-1-3-20-45)30-40-77(38-17-36-71-58(80)54(28-11-14-32-67)75-61(83)86-43-47-22-5-8-25-50(47)64)39-18-37-72-59(81)55(29-12-15-33-68)76-62(84)87-44-48-23-6-9-26-51(48)65;;;;;/h1-9,19-26,52-55,69H,10-18,27-44,66-68H2,(H,70,79)(H,71,80)(H,72,81)(H,73,78)(H,74,82)(H,75,83)(H,76,84);5*1H/t52-,53-,54-,55-;;;;;/m0...../s1 |
| InChIKey | PBWRLSSRXPARCZ-YRPUDGEHSA-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 | 1451.127 g/mol |
| Sample ID | 69829 |
| Solvent | Unknown |