![2-[[(2S)-4-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pent-4-enoic acid methyl ester](/api/spectrum/CclkzSagO3V/structure.png?h=300&w=458 "2-[[(2S)-4-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pent-4-enoic acid methyl ester")
| SpectraBase Compound ID | IOlaT9cqGdW |
|---|---|
| InChI | InChI=1S/C29H44N4O7S/c1-8-10-22(29(37)40-7)30-26(34)23(17-18(2)3)31-27(35)24-11-9-16-33(24)28(36)25(19(4)5)32-41(38,39)21-14-12-20(6)13-15-21/h8,12-15,18-19,22-25,32H,1,9-11,16-17H2,2-7H3,(H,30,34)(H,31,35)/t22?,23-,24-,25-/m0/s1 |
| InChIKey | LJGLOLQKJHEIKE-ZDZYZNPZSA-N |
| Mol Weight | 592.8 g/mol |
| Molecular Formula | C29H44N4O7S |
| Exact Mass | 592.293071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CclkzSagO3V |
|---|---|
| Name | 2-[[(2S)-4-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pent-4-enoic acid methyl ester |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44N4O7S |
| InChI | InChI=1S/C29H44N4O7S/c1-8-10-22(29(37)40-7)30-26(34)23(17-18(2)3)31-27(35)24-11-9-16-33(24)28(36)25(19(4)5)32-41(38,39)21-14-12-20(6)13-15-21/h8,12-15,18-19,22-25,32H,1,9-11,16-17H2,2-7H3,(H,30,34)(H,31,35)/t22?,23-,24-,25-/m0/s1 |
| InChIKey | LJGLOLQKJHEIKE-ZDZYZNPZSA-N |
| Literature Reference Author | U.KAZMAIER,S.MAIER |
| Literature Reference Citation | ORG.LETTERS,1,1763(1999) |
| Literature Reference DOI | 10.1021/ol9910262 |
| Molecular Weight | 592.751 g/mol |
| Sample ID | 32915 |
| Solvent | CDCl3 |