| Properties | Image |
|---|
| MNX_ID | MNXM734072 |
 |
| reference | biggM:anhm3p |
| formula | C26H39N5O14 |
| global charge | -2 |
| mol weight | 645.619 |
| InChIKey | DYTVGKIJPLPZAI-UHFFFAOYSA-L |
| InChI | InChI=1S/C26H41N5O14/c1-11(28-23(38)12(2)45-21-17(29-13(3)33)10-44-18(9-32)20(21)36)22(37)30-15(7-8-19(34)35)24(39)31-16(26(42)43)6-4-5-14(27)25(40)41/h10-12,14-16,18,20-21,32,36H,4-9,27H2,1-3H3,(H,28,38)(H,29,33)(H,30,37)(H,31,39)(H,34,35)(H,40,41)(H,42,43)/p-2 |
| SMILES | CC(=O)NC1=COC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([NH3+])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C26H41N5O14/c1-11(28-23(38)12(2)45-21-17(29-13(3)33)10-44-18(9-32)20(21)36)22(37)30-15(7-8-19(34)35)24(39)31-16(26(42)43)6-4-5-14(27)25(40)41/h10-12,14-16,18,20-21,32,36H,4-9,27H2,1-3H3,(H,28,38)(H,29,33)(H,30,37)(H,31,39)(H,34,35)(H,40,41)(H,42,43)/t11?,12?,14?,15?,16?,18?,20?,21? |
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| SMILES (mnx) | [CH3:1][CH:11]([C:22](=[N:30][CH:15]([CH2:7][CH2:8][C:19](=[O:34])[OH:35])[C:24](=[N:31][CH:16]([CH2:6][CH2:4][CH2:5][CH:14]([C:25](=[O:40])[OH:41])[NH2:27])[C:26](=[O:42])[OH:43])[OH:39])[OH:37])[N:28]=[C:23]([CH:12]([CH3:2])[O:45][CH:21]1[C:17]([N:29]=[C:13]([CH3:3])[OH:33])=[CH:10][O:44][CH:18]([CH2:9][OH:32])[CH:20]1[OH:36])[OH:38] |
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