![(2S,3R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-3-phenyl-propionic acid methyl ester](/api/spectrum/IDidlZezrVs/structure.png?h=300&w=458 "(2S,3R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-3-phenyl-propionic acid methyl ester")
| SpectraBase Compound ID | GiBLoj3Idb1 |
|---|---|
| InChI | InChI=1S/C31H34N2O6/c1-19(2)17-26(29(35)33-27(30(36)38-3)28(34)20-11-5-4-6-12-20)32-31(37)39-18-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25/h4-16,19,25-28,34H,17-18H2,1-3H3,(H,32,37)(H,33,35)/t26-,27-,28+/m0/s1 |
| InChIKey | AVYDZLQSCPKJHI-HZFUHODCSA-N |
| Mol Weight | 530.6 g/mol |
| Molecular Formula | C31H34N2O6 |
| Exact Mass | 530.241687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDidlZezrVs |
|---|---|
| Name | (2S,3R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-3-phenyl-propionic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 530.241686817 u |
| Formula | C31H34N2O6 |
| InChI | InChI=1S/C31H34N2O6/c1-19(2)17-26(29(35)33-27(30(36)38-3)28(34)20-11-5-4-6-12-20)32-31(37)39-18-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25/h4-16,19,25-28,34H,17-18H2,1-3H3,(H,32,37)(H,33,35)/t26-,27-,28+/m0/s1 |
| InChIKey | AVYDZLQSCPKJHI-HZFUHODCSA-N |
| Molecular Weight | 530.621 g/mol |
| SMILES | [C@](NC([C@@](NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)(CC(C)C)[H])=O)(C(=O)OC)([C@@](C=1C=CC=CC1)(O)[H])[H] |