| SpectraBase Compound ID | DnhgEXYFwZe |
|---|---|
| InChI | InChI=1S/C30H39N6O10P/c1-3-46-47(45,19-31-28(40)20(2)32-26(37)15-16-27(38)39)35-17-7-10-25(35)30(42)34-24(18-21-8-5-4-6-9-21)29(41)33-22-11-13-23(14-12-22)36(43)44/h4-6,8-9,11-14,20,24-25H,3,7,10,15-19H2,1-2H3,(H,31,40)(H,32,37)(H,33,41)(H,34,42)(H,38,39)/t20-,24-,25+,47?/m0/s1 |
| InChIKey | KYQSRUIDADOUMM-YRXIGHDBSA-N |
| Mol Weight | 674.6 g/mol |
| Molecular Formula | C30H39N6O10P |
| Exact Mass | 674.246528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | rpw1er4xoV |
|---|---|
| Name | suc-ala-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 | 674.246528468 u |
| Formula | C30H39N6O10P |
| InChI | InChI=1S/C30H39N6O10P/c1-3-46-47(45,19-31-28(40)20(2)32-26(37)15-16-27(38)39)35-17-7-10-25(35)30(42)34-24(18-21-8-5-4-6-9-21)29(41)33-22-11-13-23(14-12-22)36(43)44/h4-6,8-9,11-14,20,24-25H,3,7,10,15-19H2,1-2H3,(H,31,40)(H,32,37)(H,33,41)(H,34,42)(H,38,39)/t20-,24-,25+,47?/m0/s1 |
| InChIKey | KYQSRUIDADOUMM-YRXIGHDBSA-N |
| Molecular Weight | 674.648 g/mol |
| SMILES | C(=O)(O)CCC(=O)N[C@@](C)(C(=O)NCP(=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])[H] |