PRD_002043
Summary
| Name: | Goblin1 |
| Formula: | C34 H60 N8 O12 |
| Fomular weight: | 772.887 |
| Component type: | peptide-like |
| Polymer sequences: | ACE, VAL, THR, PRO, VAL, SRZ, THR, ALA, NH2 |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.0 | (2S)-1-[(2S,3R)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-(3-oxidanylpropoxy)propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COCCCO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC(C)=O)C(=O)N[CH]([CH](C)O)C(=O)N1CCC[CH]1C(=O)N[CH](C(C)C)C(=O)N[CH](COCCCO)C(=O)N[CH]([CH](C)O)C(=O)N[CH](C)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.0 | C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](COCCCO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)C)O |
| SMILES | OpenEye OEToolkits | 1.9.0 | CC(C)C(C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(COCCCO)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)N)NC(=O)C |
