| SpectraBase Spectrum ID |
8L19K5coxyr |
| Name |
AHU377 calcium salt |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
21473 |
| Lot Number |
0500749-1 |
| Accessory |
DurasamplIR II |
| Apodization Function |
Triangular |
| CAS Registry Number |
1369773-39-6 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H56CaN2O10 |
| IUPAC Name |
(αR,γS)-γ-[(3-Carboxy-1-oxopropyl)amino]-α-methyl-[1,1’-biphenyl]-4-pentanoic acid, 4-ethyl ester, hemicalcium salt |
| InChI |
InChI=1S/2C24H29NO5.Ca/c2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;/h2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);/q;;+2/p-2/t2*17-,21+;/m11./s1 |
| InChIKey |
DDLCKLBRBPYKQS-OXXXZDCLSA-L |
| Instrument Name |
Bio-Rad FTS
|
| SMILES |
N([C@](Cc1ccc(cc1)-c1ccccc1)(C[C@@](C)(C(OCC)=O)[H])[H])C(CCC([O-])=O)=O.N([C@](Cc1ccc(cc1)-c1ccccc1)(C[C@@](C)(C(OCC)=O)[H])[H])C(CCC([O-])=O)=O.[Ca+2] |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Sacubitril |
| Technique |
ATR-Neat |
