6X4
Summary
| Name: | [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium |
| Formula: | C20 H37 N6 O8 |
| Formal charge: | 1 |
| Formula weight: | 489.543 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H36N6O8/c1-10(16(22)29)23-19(32)13(6-4-5-9-21)25-15(28)8-7-14(20(33)34)26-17(30)11(2)24-18(31)12(3)27/h10-14,27H,4-9,21H2,1-3H3,(H2,22,29)(H,23,32)(H,24,31)(H,25,28)(H,26,30)(H,33,34)/p+1/t10-,11+,12-,13-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | NEROIIRQSNQGCX-XVIXHAIJSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@H](CCCC[NH3+])C(=O)N[C@H](C)C(N)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)C(=O)N[CH](C)C(=O)N[CH](CCC(=O)N[CH](CCCC[NH3+])C(=O)N[CH](C)C(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](C(=O)N)NC(=O)C(CCCC[NH3+])NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)N)NC(=O)C(CCCC[NH3+])NC(=O)CCC(C(=O)O)NC(=O)C(C)NC(=O)C(C)O |
