| SpectraBase Compound ID | JvSPHIscyUa |
|---|---|
| InChI | InChI=1S/C31H32N5O8P/c1-2-44-45(43,20-34-30(39)24-11-6-7-12-25(24)31(34)40)35-18-8-13-27(35)29(38)33-26(19-21-9-4-3-5-10-21)28(37)32-22-14-16-23(17-15-22)36(41)42/h3-7,9-12,14-17,26-27H,2,8,13,18-20H2,1H3,(H,32,37)(H,33,38)/t26-,27-,45?/m0/s1 |
| InChIKey | GKIUAWLMMZUNLV-QTCGYXSHSA-N |
| Mol Weight | 633.6 g/mol |
| Molecular Formula | C31H32N5O8P |
| Exact Mass | 633.19885 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDerpT0t9Zq |
|---|---|
| Name | pht=gly-Omega-(PO2ET-N)-pro-phe-pna |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 633.198850000 u |
| Formula | C31H32N5O8P |
| InChI | InChI=1S/C31H32N5O8P/c1-2-44-45(43,20-34-30(39)24-11-6-7-12-25(24)31(34)40)35-18-8-13-27(35)29(38)33-26(19-21-9-4-3-5-10-21)28(37)32-22-14-16-23(17-15-22)36(41)42/h3-7,9-12,14-17,26-27H,2,8,13,18-20H2,1H3,(H,32,37)(H,33,38)/t26-,27-,45?/m0/s1 |
| InChIKey | GKIUAWLMMZUNLV-QTCGYXSHSA-N |
| Molecular Weight | 633.598 g/mol |
| SMILES | C1(=O)C2=CC=CC=C2C(=O)N1CP(=O)(OCC)N1[C@@](CCC1)(C(=O)N[C@@](CC1=CC=CC=C1)(C(=O)NC1=CC=C(C=C1)N(=O)=O)[H])[H] |