| Properties | Image |
|---|
| MNX_ID | MNXM1107707 |
 |
| reference | chebi:84730 |
| formula | C27H45N6O9 |
| global charge | -3 |
| mol weight | 597.69 |
| InChIKey | WXIWKPBDYNJGJA-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H45N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h1-21H2,(H,28,34)(H,29,35)(H,30,36)/q-3 |
| SMILES | O=C1CCC(=O)N([O-])CCCCCNC(=O)CCC(=O)N([O-])CCCCCNC(=O)CCC(=O)N([O-])CCCCCN1 |
MNX internals
| InChI (mnx) | InChI=1/C27H45N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h1-21H2,(H,28,34)(H,29,35)(H,30,36)/q-3 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:4][CH2:16][N:28]=[C:22]([OH:34])[CH2:10][CH2:14][C:26](=[O:38])[N:32]([O-:41])[CH2:20][CH2:8][CH2:3][CH2:6][CH2:18][N:30]=[C:24]([OH:36])[CH2:12][CH2:15][C:27](=[O:39])[N:33]([O-:42])[CH2:21][CH2:9][CH2:2][CH2:5][CH2:17][N:29]=[C:23]([OH:35])[CH2:11][CH2:13][C:25](=[O:37])[N:31]([O-:40])[CH2:19][CH2:7]1 |
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