Emd 52297 - CAS 129049-51-0
Emd 52297 is a renin inhibitor.
Catalog Number: I026816
CAS Number: 129049-51-0
Molecular Formula: C39H59N11O7
Molecular Weight:793.97
Purity: 98.0%
Appearance:Solid powder
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | Emd 52297; Emd-52297; Emd52297; |
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Property
Molecular Formula: | C39H59N11O7 |
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Molecular Weight | 793.97 |
Solubility | Soluble in DMSO |
Purity | 98.0% |
Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
Computed Descriptor
IUPAC Name | tert-butyl (12-((1H-imidazol-5-yl)methyl)-4-(sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14-tetraoxo-16-phenyl-1-(2H-tetrazol-2-yl)-2,5,10,13-tetraazahexadecan-15-yl)carbamate |
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InChI | 1S/C39H59N11O7/c1-6-25(2)34(37(55)42-24-50-44-23-43-49-50)48-33(52)20-32(51)29(17-26-13-9-7-10-14-26)45-36(54)31(19-28-21-40-22-41-28)46-35(53)30(18-27-15-11-8-12-16-27)47-38(56)57-39(3,4)5/h8,11-12,15-16,21-23,25-26,29-32,34,51H,6-7,9-10,13-14,17-20,24H2,1-5H3,(H,40,41)(H,42,55)(H,45,54)(H,46,53)(H,47,56)(H,48,52) |
InChIKey | LXFRBEWNYDBACO-UHFFFAOYSA-N |
SMILES | CCC(C(NC(CC(O)C(NC(C(NC(C(NC(OC(C)(C)C)=O)Cc1ccccc1)=O)Cc2[nH]cnc2)=O)CC3CCCCC3)=O)C(NCn4nncn4)=O)C |