| Properties | Image |
|---|
| MNX_ID | MNXM1401679 |
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| reference | chebi:220121 |
| formula | C28H47N7O15 |
| global charge | 0 |
| mol weight | 721.718 |
| InChIKey | WIQQJJJLRHWSIE-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H47N7O15/c1-13-9-19(40)30-15(6-4-8-35(49)12-37)18(39)10-20(41)33-21(14(2)38)26(45)31-16(5-3-7-29)24(43)32-17(11-36)25(44)34-22(28(48)50-13)23(42)27(46)47/h12-18,21-23,36,38-39,42,49H,3-11,29H2,1-2H3,(H,30,40)(H,31,45)(H,32,43)(H,33,41)(H,34,44)(H,46,47) |
| SMILES | CC1CC(=O)NC(CCCN(O)C=O)C(O)CC(=O)NC(C(C)O)C(=O)NC(CCCN)C(=O)NC(CO)C(=O)NC(C(O)C(=O)O)C(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C28H47N7O15/c1-13-9-19(40)30-15(6-4-8-35(49)12-37)18(39)10-20(41)33-21(14(2)38)26(45)31-16(5-3-7-29)24(43)32-17(11-36)25(44)34-22(28(48)50-13)23(42)27(46)47/h12-18,21-23,36,38-39,42,49H,3-11,29H2,1-2H3,(H,30,40)(H,31,45)(H,32,43)(H,33,41)(H,34,44)(H,46,47)/t13?,14?,15?,16?,17?,18?,21?,22?,23? |
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| SMILES (mnx) | [CH3:1][CH:13]1[CH2:9][C:19]([OH:40])=[N:30][CH:15]([CH2:6][CH2:4][CH2:8][N:35]([CH:12]=[O:37])[OH:49])[CH:18]([OH:39])[CH2:10][C:20]([OH:41])=[N:33][CH:21]([CH:14]([CH3:2])[OH:38])[C:26]([OH:45])=[N:31][CH:16]([CH2:5][CH2:3][CH2:7][NH2:29])[C:24]([OH:43])=[N:32][CH:17]([CH2:11][OH:36])[C:25]([OH:44])=[N:34][CH:22]([CH:23]([C:27](=[O:46])[OH:47])[OH:42])[C:28](=[O:48])[O:50]1 |
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