PRD_002372
Summary
| Name: | ACE-VAL-ARG-MET-QZA |
| Formula: | C22 H43 Cl N7 O5 S |
| Fomular weight: | 553.139 |
| Component type: | peptide-like |
| Polymer sequences: | ACE, VAL, ARG, MET, QZA |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [[[(4~{S})-4-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-5-[[(2~{S})-1-[[(2~{S},3~{R})-4-chloranyl-3-oxidanyl-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](C)[C@@H](O)CCl |
| SMILES | CACTVS | 3.385 | CSCC[CH](NC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](NC(C)=O)C(C)C)C(=O)N[CH](C)[CH](O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@H](CCl)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](C(C)C)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(CCSC)C(=O)NC(C)C(CCl)O)NC(=O)C |
