7B6
Summary
| Name: | (2~{S})-6-azanyl-2-[[(2~{R})-1-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid |
| Formula: | C23 H40 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 436.588 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-6-azanyl-2-[[(2~{R})-1-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16-,17+,18-,19-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | HKPGTWCJLYFZSN-LJDSDSDDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCCC[CH](NC(=O)N[CH](CC1CCCCC1)C(=O)N[CH]2C[CH]3CC[CH]2C3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCC(CC1)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)NC(=O)N[C@@H](CCCCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCC(CC1)CC(C(=O)NC2CC3CCC2C3)NC(=O)NC(CCCCN)C(=O)O |
