PRD_002383
Summary
| Name: | des4.3.1 |
| Formula: | C44 H74 N12 O11 S |
| Fomular weight: | 979.197 |
| Component type: | peptide-like |
| Polymer sequences: | DAL, DSN, ASP, DAR, U2M, PHE, DNE, LYS |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [[3-[(2~{R},5~{S},8~{S},11~{R},14~{S},17~{R},20~{R},23~{S})-14-(4-azaniumylbutyl)-11-butyl-20-(hydroxymethyl)-23-(2-hydroxy-2-oxoethyl)-17-methyl-3,6,9,12,15,18,21,24-octakis(oxidanylidene)-8-(phenylmethyl)-5-(5-sulfanylpentyl)-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]propylamino]-azanyl-methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCCS)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[NH3+])NC1=O |
| SMILES | CACTVS | 3.385 | CCCC[CH]1NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](CCCCCS)NC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](CC(O)=O)NC(=O)[CH](CO)NC(=O)[CH](C)NC(=O)[CH](CCCC[NH3+])NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc2ccccc2)CCCCCS)CCCNC(=[NH2+])N)CC(=O)O)CO)C)CCCC[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)Cc2ccccc2)CCCCCS)CCCNC(=[NH2+])N)CC(=O)O)CO)C)CCCC[NH3+] |
