L6H
Summary
| Name: | [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
| Formula: | C28 H38 N4 O7 |
| Formal charge: | 0 |
| Formula weight: | 542.624 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)/b2-1?,14-8+/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | XBCNCWLUITUPGM-PESUWNSQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(COC(=O)\C=C\CNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[C@H]3CCC/C=C/CC3 |
| SMILES | CACTVS | 3.385 | O=C(COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3CCCC=CCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NC/C=C/C(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NCC=CC(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3 |
