PRD_000180
Summary
| Name: | N-carboxyphenylalanyl-N~5~-[amino(iminio)methyl]ornithyl-N-[(2S)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide |
| Formula: | C27 H47 N10 O6 |
| Fomular weight: | 607.725 |
| Component type: | peptide-like |
| Polymer sequences: | FC0, ARG, VAL, OAR |
| Non-polymer components: | |
| BIRD class: | Enzyme Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| ACDLabs | 14.52 | N-carboxyphenylalanyl-N~5~-[amino(iminio)methyl]ornithyl-N-[(2S)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide |
| OpenEye OEToolkits | 3.1.0.0 | [azanyl-[[(4~{S})-5-[[(2~{S})-1-[[(2~{S})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2~{R})-2-(carboxyamino)-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentyl]amino]methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N=C(N)NCCCC(CO)NC(=O)C(NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(NC(=O)O)Cc1ccccc1)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(Cc1ccccc1)NC(O)=O)C(=O)N[C@H](CO)CCCNC(N)=N |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(Cc1ccccc1)NC(O)=O)C(=O)N[CH](CO)CCCNC(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(/N)\NCCC[C@@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)C(C(=O)NC(CCCNC(=N)N)CO)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(Cc1ccccc1)NC(=O)O |
