PRD_002331
Summary
| Name: | Chymostatin A (bound form) |
| Formula: | C31 H43 N7 O6 |
| Fomular weight: | 609.716 |
| Component type: | peptide-like |
| Polymer sequences: | PHE, CSI, LEU, PHL |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[(1~{S})-1-[(4~{R})-2-azanylidene-1,3-diazinan-4-yl]-2-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)NC(Cc1ccccc1)C(O)=O)[C@H]2CCNC(=N)N2)C(=O)N[C@H](CO)Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)[CH](NC(=O)NC(Cc1ccccc1)C(O)=O)[CH]2CCNC(=N)N2)C(=O)N[CH](CO)Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/NCC[C@@H](N1)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)CO)NC(=O)N[C@@H](Cc3ccccc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC(Cc1ccccc1)CO)NC(=O)C(C2CCNC(=N)N2)NC(=O)NC(Cc3ccccc3)C(=O)O |
