PRD_002087
Summary
| Name: | |
| Formula: | C18 H25 N5 O6 |
| Fomular weight: | 407.421 |
| Component type: | peptide-like |
| Polymer sequences: | PHQ, ALA, ALA, ZSN, 0QE |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.0 | (phenylmethyl) N-[(2S)-1-[[(2S)-1-[2-(2-azanyl-2-oxidanylidene-ethyl)-2-ethanoyl-hydrazinyl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H25N5O6/c1-11(21-18(28)29-10-14-7-5-4-6-8-14)16(26)20-12(2)17(27)22-23(13(3)24)9-15(19)25/h4-8,11-12H,9-10H2,1-3H3,(H2,19,25)(H,20,26)(H,21,28)(H,22,27)/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.06 | PFSCZEIUHDEKIM-RYUDHWBXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(C)=O |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)NN(CC(N)=O)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)NN(CC(=O)N)C(=O)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NN(CC(=O)N)C(=O)C)NC(=O)C(C)NC(=O)OCc1ccccc1 |
