![2-[[(2S)-4-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetic acid allyl ester](/api/spectrum/3eeiHlZdPR1/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]acetic acid allyl ester")
| SpectraBase Compound ID | ArWFeB54ezp |
|---|---|
| InChI | InChI=1S/C28H42N4O7S/c1-7-15-39-24(33)17-29-26(34)22(16-18(2)3)30-27(35)23-9-8-14-32(23)28(36)25(19(4)5)31-40(37,38)21-12-10-20(6)11-13-21/h7,10-13,18-19,22-23,25,31H,1,8-9,14-17H2,2-6H3,(H,29,34)(H,30,35)/t22-,23-,25-/m0/s1 |
| InChIKey | RIPPWJVMLNLJGK-LSQMVHIFSA-N |
| Mol Weight | 578.7 g/mol |
| Molecular Formula | C28H42N4O7S |
| Exact Mass | 578.277421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eeiHlZdPR1 |
|---|---|
| Name | 2-[[(2S)-4-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetic acid allyl ester |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H42N4O7S |
| InChI | InChI=1S/C28H42N4O7S/c1-7-15-39-24(33)17-29-26(34)22(16-18(2)3)30-27(35)23-9-8-14-32(23)28(36)25(19(4)5)31-40(37,38)21-12-10-20(6)11-13-21/h7,10-13,18-19,22-23,25,31H,1,8-9,14-17H2,2-6H3,(H,29,34)(H,30,35)/t22-,23-,25-/m0/s1 |
| InChIKey | RIPPWJVMLNLJGK-LSQMVHIFSA-N |
| Literature Reference Author | U.KAZMAIER,S.MAIER |
| Literature Reference Citation | ORG.LETTERS,1,1763(1999) |
| Literature Reference DOI | 10.1021/ol9910262 |
| Molecular Weight | 578.724 g/mol |
| Sample ID | 32914 |
| Solvent | CDCl3 |