Chymostatin (CHEM128282)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-13 21:02:19 UTC | ||||||||
| Update Date | 2026-05-14 17:12:49 UTC | ||||||||
| Accession Number | CHEM128282 | ||||||||
| Identification | |||||||||
| Common Name | Chymostatin | ||||||||
| Class | Small Molecule | ||||||||
| Description | Chymostatin is an organic compound with the chemical formula C31H41N7O6. Chymostatin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 607.71 g/mol, Chymostatin is a heavy molecule. In terms of biological activity, it acts as an inhibitor of two recorded protein targets: Amidase (pam) and Chymase (CMA1). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H41N7O6 | ||||||||
| Average Molecular Mass | 607.712 g/mol | ||||||||
| Monoisotopic Mass | 607.312 g/mol | ||||||||
| CAS Registry Number | 9076-44-2 | ||||||||
| IUPAC Name | (2S)-2-({[(S)-(2-imino-1,3-diazinan-4-yl)({[(1S)-3-methyl-1-{[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl}butyl]carbamoyl})methyl]carbamoyl}amino)-3-phenylpropanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C1CCNC(=N)N1)C(=O)N[C@@H](CC1=CC=CC=C1)C=O | ||||||||
| InChI Identifier | InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23?,24-,25-,26-/m0/s1 | ||||||||
| InChI Key | MRXDGVXSWIXTQL-HYHFHBMOSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
