![N-[2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN](/api/spectrum/85MLwMdPlw2/structure.png?h=300&w=458 "N-[2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN")
| SpectraBase Compound ID | 5Jvrkw4T2cU |
|---|---|
| InChI | InChI=1S/C52H68N8O8S/c1-34-35(2)47(36(3)40-28-52(7,8)67-46(34)40)69(65,66)58-49(53)54-26-18-25-41(48(63)55-29-38-21-14-10-15-22-38)56-44(61)32-59-33-45(62)60(30-39-23-16-11-17-24-39)31-43(59)42(27-37-19-12-9-13-20-37)57-50(64)68-51(4,5)6/h9-17,19-24,41-43H,18,25-33H2,1-8H3,(H,55,63)(H,56,61)(H,57,64)(H3,53,54,58)/t41?,42-,43+/m0/s1 |
| InChIKey | NFZRVSLPCSLMPC-IEZDNMIOSA-N |
| Mol Weight | 965.2 g/mol |
| Molecular Formula | C52H68N8O8S |
| Exact Mass | 964.488082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85MLwMdPlw2 |
|---|---|
| Name | N-[2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ARG(PBF)-NH-BN |
| Compound Number | 15C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H68N8O8S |
| InChI | InChI=1S/C52H68N8O8S/c1-34-35(2)47(36(3)40-28-52(7,8)67-46(34)40)69(65,66)58-49(53)54-26-18-25-41(48(63)55-29-38-21-14-10-15-22-38)56-44(61)32-59-33-45(62)60(30-39-23-16-11-17-24-39)31-43(59)42(27-37-19-12-9-13-20-37)57-50(64)68-51(4,5)6/h9-17,19-24,41-43H,18,25-33H2,1-8H3,(H,55,63)(H,56,61)(H,57,64)(H3,53,54,58)/t41?,42-,43+/m0/s1 |
| InChIKey | NFZRVSLPCSLMPC-IEZDNMIOSA-N |
| Literature Reference Author | A.M.VALDIVIELSO,M.T.GARCIA-LOPEZ,M.GUTIERREZ-RODRIGUEZ,R.HER RANZ |
| Literature Reference Citation | MOLECULES,19,4814(2014) |
| Literature Reference DOI | 10.3390/molecules19044814 |
| Molecular Weight | 965.221 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT14780 |