PRD_002097
Summary
| Name: | [[[(4S)-5-[[(2S)-1-[[(2S)-5-[[azaniumylidene(azanyl)methyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]pentyl]amino]-azanyl-methylidene]azanium |
| Formula: | C27 H46 N10 O6 |
| Fomular weight: | 606.718 |
| Component type: | peptide-like |
| Polymer sequences: | FC0, ARG, VAL, RGL |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Compound Details: | Antipain forms a covalent linkage between the Arginal residue of the inhibitor and Ser residue of the protein. |
| Description: | Acts as a reversible inhibitor of serine/cysteine proteases and some trypsin-like serine proteases. |
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.0 | [[[(4S)-5-[[(2S)-1-[[(2S)-5-[[azaniumylidene(azanyl)methyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]pentyl]amino]-azanyl-methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)N[CH](Cc1ccccc1)C(O)=O)C(=O)N[CH](CCCNC(N)=[NH2+])C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.0 | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=[NH2+])N)C=O)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.0 | CC(C)C(C(=O)NC(CCCNC(=[NH2+])N)C=O)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)NC(Cc1ccccc1)C(=O)O |
