![2-[(3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)-2-keto-piperidino]acetic acid](/api/spectrum/JAWlgGyY8kI/structure.png?h=300&w=458 "2-[(3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)-2-keto-piperidino]acetic acid")
| SpectraBase Compound ID | 5OGrSNp8WkX |
|---|---|
| InChI | InChI=1S/C30H27N3O5/c34-27(35)16-33-14-13-23(24-15-31-26-12-6-5-11-22(24)26)28(29(33)36)32-30(37)38-17-25-20-9-3-1-7-18(20)19-8-2-4-10-21(19)25/h1-12,15,23,25,28,31H,13-14,16-17H2,(H,32,37)(H,34,35)/t23-,28-/m1/s1 |
| InChIKey | IGEIIEJFBBYWGF-QDPGVEIFSA-N |
| Mol Weight | 509.56 g/mol |
| Molecular Formula | C30H27N3O5 |
| Exact Mass | 509.195071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JAWlgGyY8kI |
|---|---|
| Name | 2-[(3R,4R)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)-2-keto-piperidino]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 509.195070976 u |
| Formula | C30H27N3O5 |
| InChI | InChI=1S/C30H27N3O5/c34-27(35)16-33-14-13-23(24-15-31-26-12-6-5-11-22(24)26)28(29(33)36)32-30(37)38-17-25-20-9-3-1-7-18(20)19-8-2-4-10-21(19)25/h1-12,15,23,25,28,31H,13-14,16-17H2,(H,32,37)(H,34,35)/t23-,28-/m1/s1 |
| InChIKey | IGEIIEJFBBYWGF-QDPGVEIFSA-N |
| Molecular Weight | 509.562 g/mol |
| SMILES | C1([C@@]2([C@](C(=O)N(CC2)CC(=O)O)(NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)[H])[H])=CNC2=C1C=CC=C2 |