PRD_002399
Summary
| Name: | |
| Formula: | C45 H68 N10 O11 S |
| Fomular weight: | 957.147 |
| Component type: | peptide-like |
| Polymer sequences: | DCY, PRO, LWI, HYP, GLU, DPR, DLY, NLE |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](Cc4ccccc4CN)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](CS)NC1=O |
| SMILES | CACTVS | 3.385 | CCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)[CH]2CCCN2C(=O)[CH](CCC(O)=O)NC(=O)[CH]3C[CH](O)CN3C(=O)[CH](Cc4ccccc4CN)NC(=O)[CH]5CCCN5C(=O)[CH](CS)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N4CCC[C@@H]4C(=O)N[C@@H](C(=O)N1)CCCCN)CCC(=O)O)O)Cc5ccccc5CN)CS |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N3CC(CC3C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)N1)CCCCN)CCC(=O)O)O)Cc5ccccc5CN)CS |
