| Properties | Image |
|---|
| MNX_ID | MNXM739849 |
 |
| reference | biggM:CE3092 |
| formula | C26H36N5O14S |
| global charge | -1 |
| mol weight | 674.662 |
| InChIKey | NAUBCUCILMZALD-AAICTPQNSA-M |
| InChI | InChI=1S/C26H37N5O14S/c27-11(24(40)41)4-5-17(34)31-13(9-46)23(39)29-7-18(35)30-12(25(42)43)6-14(33)10-2-1-3-15(19(10)28)44-26-22(38)21(37)20(36)16(8-32)45-26/h1-3,11-13,16,20-22,26,32,36-38,46H,4-9,27-28H2,(H,29,39)(H,30,35)(H,31,34)(H,40,41)(H,42,43)/p-1/t11-,12-,13+,16-,20+,21+,22+,26-/m1/s1 |
| SMILES | NC1=C(C(=O)C[C@@H]([NH+]=C([O-])C[NH+]=C([O-])[C@H](CS)[NH+]=C([O-])CC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-])C=CC=C1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C26H37N5O14S/c27-11(24(40)41)4-5-17(34)31-13(9-46)23(39)29-7-18(35)30-12(25(42)43)6-14(33)10-2-1-3-15(19(10)28)44-26-22(38)21(37)20(36)16(8-32)45-26/h1-3,11-13,16,20-22,26,32,36-38,46H,4-9,27-28H2,(H,29,39)(H,30,35)(H,31,34)(H,40,41)(H,42,43)/t11-,12-,13+,16-,20+,21+,22+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:10]([C:14]([CH2:6][C@H:12]([C:25](=[O:42])[OH:43])[N:30]=[C:18]([CH2:7][N:29]=[C:23]([C@H:13]([CH2:9][SH:46])[N:31]=[C:17]([CH2:5][CH2:4][C@H:11]([C:24](=[O:40])[OH:41])[NH2:27])[OH:34])[OH:39])[OH:35])=[O:33])=[C:19]([NH2:28])[C:15]([O:44][C@H:26]2[C@@H:22]([OH:38])[C@@H:21]([OH:37])[C@@H:20]([OH:36])[C@@H:16]([CH2:8][OH:32])[O:45]2)=[CH:3]1 |
|