PRD_002413
Summary
| Name: | |
| Formula: | C19 H24 N5 O4 |
| Fomular weight: | 386.425 |
| Component type: | peptide-like |
| Polymer sequences: | ACE, GLY, PHE, HSV |
| Non-polymer components: | |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-(2-acetamidoethanoylamino)-~{N}-[(2~{S})-1-(1~{H}-imidazol-3-ium-4-yl)-3-oxidanylidene-propan-2-yl]-3-phenyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H23N5O4/c1-13(26)21-10-18(27)24-17(7-14-5-3-2-4-6-14)19(28)23-16(11-25)8-15-9-20-12-22-15/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H,20,22)(H,21,26)(H,23,28)(H,24,27)/p+1/t16-,17-/m0/s1 |
| InChIKey | InChI | 1.06 | NLQLHNHRQGQHQD-IRXDYDNUSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c[nH+]2)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2c[nH]c[nH+]2)C=O |
