PRD_002308
Summary
| Name: | DAMGO |
| Formula: | C26 H35 N5 O6 |
| Fomular weight: | 513.586 |
| Component type: | peptide-like |
| Polymer sequences: | TYR, DAL, GLY, MEA, ETA |
| Non-polymer components: | |
| BIRD class: | synthetic opioid |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-~{N}-[(2~{R})-1-[[2-[[(2~{S})-1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 |
| InChIKey | InChI | 1.06 | HPZJMUBDEAMBFI-WTNAPCKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCCO |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)[CH](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[CH](Cc2ccccc2)C(=O)NCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO)NC(=O)[C@H](Cc2ccc(cc2)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NCCO)NC(=O)C(Cc2ccc(cc2)O)N |
