| Properties | Image |
|---|
| MNX_ID | MNXM105390 |
 |
| reference | chebi:65975 |
| formula | C42H71N9O17 |
| global charge | 0 |
| mol weight | 974.076 |
| InChIKey | INJLZOSCEJMAGG-ADTDQJCQSA-N |
| InChI | InChI=1S/C42H71N9O17/c1-5-6-7-8-9-10-11-12-13-14-15-42(4,67)29-19-32(57)46-27(20-52)39(64)45-22(2)35(60)47-26(18-33(58)59)38(63)49-24(16-30(43)55)36(61)48-25(17-31(44)56)37(62)50-28(21-53)40(65)51-34(23(3)54)41(66)68-29/h22-29,34,52-54,67H,5-21H2,1-4H3,(H2,43,55)(H2,44,56)(H,45,64)(H,46,57)(H,47,60)(H,48,61)(H,49,63)(H,50,62)(H,51,65)(H,58,59)/t22-,23-,24?,25?,26?,27?,28?,29?,34-,42?/m1/s1 |
| SMILES | CCCCCCCCCCCCC(C)(O)C1CC(=O)NC(CO)C(=O)N[C@H](C)C(=O)NC(CC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N[C@H]([C@@H](C)O)C(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C42H71N9O17/c1-5-6-7-8-9-10-11-12-13-14-15-42(4,67)29-19-32(57)46-27(20-52)39(64)45-22(2)35(60)47-26(18-33(58)59)38(63)49-24(16-30(43)55)36(61)48-25(17-31(44)56)37(62)50-28(21-53)40(65)51-34(23(3)54)41(66)68-29/h22-29,34,52-54,67H,5-21H2,1-4H3,(H2,43,55)(H2,44,56)(H,45,64)(H,46,57)(H,47,60)(H,48,61)(H,49,63)(H,50,62)(H,51,65)(H,58,59)/t22-,23-,24?,25?,26?,27?,28?,29?,34-,42?/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:42]([CH3:4])([CH:29]1[CH2:19][C:32]([OH:57])=[N:46][CH:27]([CH2:20][OH:52])[C:39]([OH:64])=[N:45][C@H:22]([CH3:2])[C:35]([OH:60])=[N:47][CH:26]([CH2:18][C:33](=[O:58])[OH:59])[C:38]([OH:63])=[N:49][CH:24]([CH2:16][C:30](=[NH:43])[OH:55])[C:36]([OH:61])=[N:48][CH:25]([CH2:17][C:31](=[NH:44])[OH:56])[C:37]([OH:62])=[N:50][CH:28]([CH2:21][OH:53])[C:40]([OH:65])=[N:51][C@H:34]([C@@H:23]([CH3:3])[OH:54])[C:41](=[O:66])[O:68]1)[OH:67] |
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