![(2R,8R)-2-[[(2S)-4-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-butanoyl]amino]-3-keto-pyrrolizidine-8-carboxylic acid methyl ester](/api/spectrum/2DiOE0JxMZv/structure.png?h=300&w=458 "(2R,8R)-2-[[(2S)-4-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-butanoyl]amino]-3-keto-pyrrolizidine-8-carboxylic acid methyl ester")
| SpectraBase Compound ID | n5GeECLVL6 |
|---|---|
| InChI | InChI=1S/C32H37N3O8/c1-31(2,3)43-26(36)16-24(27(37)33-25-17-32(29(39)41-4)14-9-15-35(32)28(25)38)34-30(40)42-18-23-21-12-7-5-10-19(21)20-11-6-8-13-22(20)23/h5-8,10-13,23-25H,9,14-18H2,1-4H3,(H,33,37)(H,34,40)/t24-,25+,32+/m0/s1 |
| InChIKey | HGVIGZRNFUVTFQ-BRUQSJHLSA-N |
| Mol Weight | 591.7 g/mol |
| Molecular Formula | C32H37N3O8 |
| Exact Mass | 591.258065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DiOE0JxMZv |
|---|---|
| Name | (2R,8R)-2-[[(2S)-4-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-butanoyl]amino]-3-keto-pyrrolizidine-8-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 591.258065155 u |
| Formula | C32H37N3O8 |
| InChI | InChI=1S/C32H37N3O8/c1-31(2,3)43-26(36)16-24(27(37)33-25-17-32(29(39)41-4)14-9-15-35(32)28(25)38)34-30(40)42-18-23-21-12-7-5-10-19(21)20-11-6-8-13-22(20)23/h5-8,10-13,23-25H,9,14-18H2,1-4H3,(H,33,37)(H,34,40)/t24-,25+,32+/m0/s1 |
| InChIKey | HGVIGZRNFUVTFQ-BRUQSJHLSA-N |
| Molecular Weight | 591.661 g/mol |
| SMILES | C1N2[C@](CC1)(C[C@](C2=O)(NC([C@](CC(=O)OC(C)(C)C)(NC(=O)OCC1C=2C=CC=CC2C=2C=CC=CC12)[H])=O)[H])C(=O)OC |