838
Summary
| Name: | 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone |
| Formula: | C30 H44 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 556.694 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},5~{S},11~{S},14~{S},17~{R},18~{R},21~{E})-18-methoxy-2,11,17-trimethyl-14-propan-2-yl-3-oxa-9,12,15,28-tetrazatricyclo[21.3.1.1^{5,9}]octacosa-1(26),21,23(27),24-tetraene-4,10,13,16-tetrone |
| ACDLabs | 12.01 | (2R,5S,11S,14S,17R,18R,21E)-18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N21C(C(NC(C(NC(=O)C(C)C(CCC=Cc3cc(C(OC(C(N1)CCC2)=O)C)ccc3)OC)C(C)C)=O)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C30H44N4O6/c1-18(2)26-28(36)31-20(4)29(37)34-16-10-14-24(33-34)30(38)40-21(5)23-13-9-12-22(17-23)11-7-8-15-25(39-6)19(3)27(35)32-26/h7,9,11-13,17-21,24-26,33H,8,10,14-16H2,1-6H3,(H,31,36)(H,32,35)/b11-7+/t19-,20+,21-,24+,25-,26+/m1/s1 |
| InChIKey | InChI | 1.03 | BSBCQRNFTUWDHR-GUUAQPORSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1CC/C=C/c2cccc(c2)[C@@H](C)OC(=O)[C@@H]3CCC[N@@](N3)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |
| SMILES | CACTVS | 3.385 | CO[CH]1CCC=Cc2cccc(c2)[CH](C)OC(=O)[CH]3CCC[N](N3)C(=O)[CH](C)NC(=O)[CH](NC(=O)[CH]1C)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)C)C(C)C)C)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1c2cccc(c2)C=CCCC(C(C(=O)NC(C(=O)NC(C(=O)N3CCCC(N3)C(=O)O1)C)C(C)C)C)OC |
