F6K
Summary
| Name: | Homosalinosporamide A - bound form |
| Formula: | C16 H24 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 329.819 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S},4~{R})-4-(3-chloranylpropyl)-2-[(~{S})-[(1~{S})-cyclohex-2-en-1-yl]-oxidanyl-methyl]-3-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidine-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H24ClNO4/c1-15(22)12(8-5-9-17)14(21)18-16(15,10-19)13(20)11-6-3-2-4-7-11/h3,6,10-13,20,22H,2,4-5,7-9H2,1H3,(H,18,21)/t11-,12+,13+,15+,16-/m1/s1 |
| InChIKey | InChI | 1.03 | XHBWODCKUDRKAV-VRUQUDLLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(O)[C@@H](CCCCl)C(=O)N[C@]1(C=O)[C@@H](O)[C@H]2CCCC=C2 |
| SMILES | CACTVS | 3.385 | C[C]1(O)[CH](CCCCl)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCCCl)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C(C(=O)NC1(C=O)C(C2CCCC=C2)O)CCCCl)O |
