MIM
Summary
| Name: | [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE |
| Formula: | C33 H52 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 596.804 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-({4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl}acetyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-6-amino-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]ethanoylamino]propanoyl]amino]hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCC1CCCCC1)C(NC(=O)C(NC(=O)Cc2ccc(cc2)CCCCn3ccnc3C)CO)CCCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1nccn1CCCCc2ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3)cc2 |
| SMILES | CACTVS | 3.341 | Cc1nccn1CCCCc2ccc(CC(=O)N[CH](CO)C(=O)N[CH](CCCCN)C(=O)NCCC3CCCCC3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1nccn1CCCCc2ccc(cc2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1nccn1CCCCc2ccc(cc2)CC(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCCC3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1 |
| InChIKey | InChI | 1.03 | WHLPIOSHBKQGHA-KYJUHHDHSA-N |
