CSH
Summary
| Name: | [2-(2-HYDROXY-1-METHYL-ETHYL)-4-(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-IMIDAZOLIDIN-1-YL]-ACETIC ACID |
| Formula: | C11 H17 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 283.284 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2S,4S)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(1H-imidazol-4-ylmethyl)-5-oxoimidazolidin-1-yl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-imidazol-4-ylmethyl)-5-oxo-imidazolidin-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(CC(=O)O)C(NC1Cc2ncnc2)C(N)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CO)[C@H]1N[C@@H](Cc2c[nH]cn2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CO)[CH]1N[CH](Cc2c[nH]cn2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(nc[nH]1)CC2C(=O)N(C(N2)[C@H](CO)N)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(nc[nH]1)CC2C(=O)N(C(N2)C(CO)N)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17N5O4/c12-7(4-17)10-15-8(1-6-2-13-5-14-6)11(20)16(10)3-9(18)19/h2,5,7-8,10,15,17H,1,3-4,12H2,(H,13,14)(H,18,19)/t7-,8-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | QHHYSJJZGWVBMV-NRPADANISA-N |
