![3-[2-[2-[2-[[2-[[1-[2-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]oxyethoxy]ethoxy]p](/api/spectrum/8rr4HOdGqo1/structure.png?h=300&w=458 "3-[2-[2-[2-[[2-[[1-[2-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]oxyethoxy]ethoxy]p")
| SpectraBase Compound ID | 18ptwJ9Mhvn |
|---|---|
| InChI | InChI=1S/C52H69N7O17/c1-31(2)45(52(73)76-25-24-75-23-22-74-21-19-44(65)66)58-49(70)42(30-61)57-50(71)43-10-7-20-59(43)51(72)40(28-33-8-5-4-6-9-33)55-47(68)39(27-35-13-17-37(64)18-14-35)54-48(69)41(29-60)56-46(67)38(53-32(3)62)26-34-11-15-36(63)16-12-34/h4-6,8-9,11-18,31,38-43,45,60-61,63-64H,7,10,19-30H2,1-3H3,(H,53,62)(H,54,69)(H,55,68)(H,56,67)(H,57,71)(H,58,70)(H,65,66) |
| InChIKey | UZCZKZZPAFXBNC-UHFFFAOYSA-N |
| Mol Weight | 1064.2 g/mol |
| Molecular Formula | C52H69N7O17 |
| Exact Mass | 1063.474994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rr4HOdGqo1 |
|---|---|
| Name | 3-[2-[2-[2-[[2-[[1-[2-[[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]oxyethoxy]ethoxy]p |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H69N7O17 |
| InChI | InChI=1S/C52H69N7O17/c1-31(2)45(52(73)76-25-24-75-23-22-74-21-19-44(65)66)58-49(70)42(30-61)57-50(71)43-10-7-20-59(43)51(72)40(28-33-8-5-4-6-9-33)55-47(68)39(27-35-13-17-37(64)18-14-35)54-48(69)41(29-60)56-46(67)38(53-32(3)62)26-34-11-15-36(63)16-12-34/h4-6,8-9,11-18,31,38-43,45,60-61,63-64H,7,10,19-30H2,1-3H3,(H,53,62)(H,54,69)(H,55,68)(H,56,67)(H,57,71)(H,58,70)(H,65,66) |
| InChIKey | UZCZKZZPAFXBNC-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 1064.157 g/mol |
| Source File Reference | MHKO20044 |