PRD_002162
Summary
| Name: | N-[(4-carbamimidamidobutyl)carbamoyl]-L-seryl-N-[(2S)-5-{[amino(iminio)methyl]amino}-1-oxopentan-2-yl]-L-valinamide |
| Formula: | C20 H41 N10 O5 |
| Fomular weight: | 501.604 |
| Component type: | peptide-like |
| Polymer sequences: | AG2, URE, SER, VAL, RGL |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-carbamimidamidobutyl)carbamoyl]-L-seryl-N-[(2S)-5-{[amino(iminio)methyl]amino}-1-oxopentan-2-yl]-L-valinamide |
| OpenEye OEToolkits | 1.9.2 | [azanyl-[[(4S)-4-[[(2S)-2-[[(2S)-2-(4-carbamimidamidobutylcarbamoylamino)-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentyl]amino]methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCCN\C(=N)N)NC(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCN/C(N)=[NH2+])C(C)C)CO |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)NCCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC(=O)[CH](CO)NC(=O)NCCCCNC(N)=N)C(=O)N[CH](CCCNC(N)=[NH2+])C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=[NH2+])N)C=O)NC(=O)[C@H](CO)NC(=O)NCCCCNC(=N)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)C(C(=O)NC(CCCNC(=[NH2+])N)C=O)NC(=O)C(CO)NC(=O)NCCCCNC(=N)N |
