![#25;O-ETHYL-[N-(BENZYLOXYCARBONYL)-N-[4-[N'-(BENZYLOXYCARBONYL)-AMINO]-BUTYL]-4-AMINOBUTYL]-[[(ALPHA-O-BENZYL-Z-GAMMA-GLUTAMYLALANINYL)-AMINO]-METHYL]-PHOSPHIN](/api/spectrum/7AKeeZOd5tm/structure.png?h=300&w=458 "#25;O-ETHYL-[N-(BENZYLOXYCARBONYL)-N-[4-[N'-(BENZYLOXYCARBONYL)-AMINO]-BUTYL]-4-AMINOBUTYL]-[[(ALPHA-O-BENZYL-Z-GAMMA-GLUTAMYLALANINYL)-AMINO]-METHYL]-PHOSPHIN")
| SpectraBase Compound ID | FrcYDM62BzO |
|---|---|
| InChI | InChI=1S/C50H64N5O12P/c1-3-67-68(62,33-19-18-32-55(50(61)66-37-43-26-14-7-15-27-43)31-17-16-30-51-48(59)64-35-41-22-10-5-11-23-41)38-52-46(57)39(2)53-45(56)29-28-44(47(58)63-34-40-20-8-4-9-21-40)54-49(60)65-36-42-24-12-6-13-25-42/h4-15,20-27,39,44H,3,16-19,28-38H2,1-2H3,(H,51,59)(H,52,57)(H,53,56)(H,54,60)/t39-,44-,68?/m0/s1 |
| InChIKey | HMLZSXDLAOTCFL-JAXPPPABSA-N |
| Mol Weight | 958.1 g/mol |
| Molecular Formula | C50H64N5O12P |
| Exact Mass | 957.42891 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7AKeeZOd5tm |
|---|---|
| Name | #25;O-ETHYL-[N-(BENZYLOXYCARBONYL)-N-[4-[N'-(BENZYLOXYCARBONYL)-AMINO]-BUTYL]-4-AMINOBUTYL]-[[(ALPHA-O-BENZYL-Z-GAMMA-GLUTAMYLALANINYL)-AMINO]-METHYL]-PHOSPHIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H64N5O12P |
| InChI | InChI=1S/C50H64N5O12P/c1-3-67-68(62,33-19-18-32-55(50(61)66-37-43-26-14-7-15-27-43)31-17-16-30-51-48(59)64-35-41-22-10-5-11-23-41)38-52-46(57)39(2)53-45(56)29-28-44(47(58)63-34-40-20-8-4-9-21-40)54-49(60)65-36-42-24-12-6-13-25-42/h4-15,20-27,39,44H,3,16-19,28-38H2,1-2H3,(H,51,59)(H,52,57)(H,53,56)(H,54,60)/t39-,44-,68?/m0/s1 |
| InChIKey | HMLZSXDLAOTCFL-JAXPPPABSA-N |
| Literature Reference Author | S.CHEN,J.K.COWARD |
| Literature Reference Citation | J.ORG.CHEM.,63,502(1998) |
| Literature Reference DOI | 10.1021/jo971318l |
| Solvent | CDCl3 |
| Source File Reference | UWVN33273 |