| Pubchem ID | 131750181 |
|---|---|
| CAS | 12650-88-3 |
| IUPAC name | H-Val-Phe-Gly-Arg-Cys-Glu-Leu-Ala-Ala-Ala-Met-Lys-Arg-His-Gly-Leu-Asp-Asn-Tyr- Arg-Gly-Tyr-Ser-Leu-Gly-Asn-OH [IUPAC Condensed] |
| Synonyms | - |
| Categories | Antimicrobial agent |
| SMILES | CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O) C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CO) C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(=O)N)C(=O)O)NC(=O)CNC(=O)C (CC3=CN=CN3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C (CCSC)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O) NC(=O)C(CS)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CC4=CC=CC=C4)NC(=O)C(C(C)C)N |
| InCheykey | JFXJPYIEDZSWNF-JWBGUOTLSA-N |
| Natural | YES |
| E No. | E1105 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 2899.31 | 46 | 44 | 99 | 1280.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Very Low Absorption | Too Soluble | Weaker / Non binder | Undefined | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |