PRD_002371
Summary
| Name: | Endogenous Peptide Agonist TRH |
| Formula: | C16 H23 N6 O4 |
| Fomular weight: | 363.392 |
| Component type: | peptide-like |
| Polymer sequences: | PCA, HIS, PRO, NH2 |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[(2~{S})-1-[(2~{R})-2-aminocarbonylpyrrolidin-1-yl]-3-(1~{H}-imidazol-3-ium-4-yl)-1-oxidanylidene-propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/p+1/t10-,11-,12+/m0/s1 |
| InChIKey | InChI | 1.06 | XNSAINXGIQZQOO-SDDRHHMPSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H]3CCC(=O)N3 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN1C(=O)[CH](Cc2c[nH]c[nH+]2)NC(=O)[CH]3CCC(=O)N3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c([nH+]c[nH]1)C[C@@H](C(=O)N2CCC[C@@H]2C(=O)N)NC(=O)[C@@H]3CCC(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c([nH+]c[nH]1)CC(C(=O)N2CCCC2C(=O)N)NC(=O)C3CCC(=O)N3 |
