| SpectraBase Compound ID | AZ08KGJUJs6 |
|---|---|
| InChI | InChI=1S/C21H27N5O5.O/c1-13(2)8-17(21(30)31)26-20(29)16(9-15-10-22-12-24-15)25-18(27)11-23-19(28)14-6-4-3-5-7-14;/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H,22,24)(H,23,28)(H,25,27)(H,26,29)(H,30,31);/t16-,17-;/m0./s1 |
| InChIKey | RNAQDDMMAZLBEI-QJHJCNPRSA-N |
| Mol Weight | 445.48 g/mol |
| Molecular Formula | C21H27N5O6 |
| Exact Mass | 445.196134 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 1ALI3F0fXvS |
|---|---|
| Name | N-Hippuryl-His-Leu hydrate |
| Source of Sample | Aldrich |
| Catalog Number | 859052 |
| CAS Registry Number | 207386-83-2 |
| Comments | MW calculated on anhydrous base |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27N5O5*xH2O |
| InChI | InChI=1S/C21H27N5O5.O/c1-13(2)8-17(21(30)31)26-20(29)16(9-15-10-22-12-24-15)25-18(27)11-23-19(28)14-6-4-3-5-7-14;/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H,22,24)(H,23,28)(H,25,27)(H,26,29)(H,30,31);/t16-,17-;/m0./s1 |
| InChIKey | RNAQDDMMAZLBEI-QJHJCNPRSA-N |
| Purity | 99% |
| Synonyms | N-Benzoyl-Gly-His-Leu N-Hippuryl-L-histidyl-L-leucine hydrate |
| Wiley ID | SIAL_ATR-IR_022112 |