![1-[1-[2-[[4-amino-2-[[2-[[1-[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]pyrrolidine-2-carbonyl]proline](/api/spectrum/EVekxxplPhB/structure.png?h=300&w=458 "1-[1-[2-[[4-amino-2-[[2-[[1-[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]pyrrolidine-2-carbonyl]proline")
| SpectraBase Compound ID | 9Q4uZTMoWeO |
|---|---|
| InChI | InChI=1S/C44H63N9O14/c1-24(2)21-30(50-37(59)26(45)22-25-9-4-3-5-10-25)42(64)51-18-6-11-31(51)40(62)47-27(14-16-35(55)56)38(60)49-29(23-34(46)54)39(61)48-28(15-17-36(57)58)41(63)52-19-7-12-32(52)43(65)53-20-8-13-33(53)44(66)67/h3-5,9-10,24,26-33H,6-8,11-23,45H2,1-2H3,(H2,46,54)(H,47,62)(H,48,61)(H,49,60)(H,50,59)(H,55,56)(H,57,58)(H,66,67) |
| InChIKey | LFFYXCVWQUEVLU-UHFFFAOYSA-N |
| Mol Weight | 942.0 g/mol |
| Molecular Formula | C44H63N9O14 |
| Exact Mass | 941.449448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVekxxplPhB |
|---|---|
| Name | 1-[1-[2-[[4-amino-2-[[2-[[1-[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]pyrrolidine-2-carbonyl]proline |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H63N9O14 |
| InChI | InChI=1S/C44H63N9O14/c1-24(2)21-30(50-37(59)26(45)22-25-9-4-3-5-10-25)42(64)51-18-6-11-31(51)40(62)47-27(14-16-35(55)56)38(60)49-29(23-34(46)54)39(61)48-28(15-17-36(57)58)41(63)52-19-7-12-32(52)43(65)53-20-8-13-33(53)44(66)67/h3-5,9-10,24,26-33H,6-8,11-23,45H2,1-2H3,(H2,46,54)(H,47,62)(H,48,61)(H,49,60)(H,50,59)(H,55,56)(H,57,58)(H,66,67) |
| InChIKey | LFFYXCVWQUEVLU-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 942.036 g/mol |
| Source File Reference | MHKO20039 |