| Properties | Image |
|---|
| MNX_ID | MNXM19665 |
 |
| reference | metacycM:CPD-13527 |
| formula | C29H46N6O16 |
| global charge | -2 |
| mol weight | 734.713 |
| InChIKey | GGDWMFRPCXZDIV-UHFFFAOYSA-L |
| InChI | InChI=1S/C29H48N6O16/c1-11(31-24(42)13(3)50-22-20(33-14(4)37)29(49)51-18(10-36)21(22)40)23(41)34-17(8-9-19(38)39)26(44)35-16(7-5-6-15(30)28(47)48)25(43)32-12(2)27(45)46/h11-13,15-18,20-22,29,36,40,49H,5-10,30H2,1-4H3,(H,31,42)(H,32,43)(H,33,37)(H,34,41)(H,35,44)(H,38,39)(H,45,46)(H,47,48)/p-2 |
| SMILES | CC(=O)NC1C(O)OC(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)NC(C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H48N6O16/c1-11(31-24(42)13(3)50-22-20(33-14(4)37)29(49)51-18(10-36)21(22)40)23(41)34-17(8-9-19(38)39)26(44)35-16(7-5-6-15(30)28(47)48)25(43)32-12(2)27(45)46/h11-13,15-18,20-22,29,36,40,49H,5-10,30H2,1-4H3,(H,31,42)(H,32,43)(H,33,37)(H,34,41)(H,35,44)(H,38,39)(H,45,46)(H,47,48)/t11?,12?,13?,15?,16?,17?,18?,20?,21?,22?,29? |
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| SMILES (mnx) | [CH3:1][CH:11]([C:23](=[N:34][CH:17]([CH2:8][CH2:9][C:19](=[O:38])[OH:39])[C:26](=[N:35][CH:16]([CH2:7][CH2:5][CH2:6][CH:15]([C:28](=[O:47])[OH:48])[NH2:30])[C:25](=[N:32][CH:12]([CH3:2])[C:27](=[O:45])[OH:46])[OH:43])[OH:44])[OH:41])[N:31]=[C:24]([CH:13]([CH3:3])[O:50][CH:22]1[CH:20]([N:33]=[C:14]([CH3:4])[OH:37])[CH:29]([OH:49])[O:51][CH:18]([CH2:10][OH:36])[CH:21]1[OH:40])[OH:42] |
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