| Properties | Image |
|---|
| MNX_ID | MNXM106705 |
 |
| reference | chebi:69901 |
| formula | C51H83N13O15 |
| global charge | 0 |
| mol weight | 1118.301 |
| InChIKey | CDKFNTHBTCWURX-GCFIISOESA-N |
| InChI | InChI=1S/C51H83N13O15/c1-10-13-14-15-16-17-19-26(6)39-41(69)49(77)60-38(25(4)5)48(76)57-30(12-3)44(72)59-32(23-36(53)67)46(74)56-29(11-2)43(71)58-31(22-35(52)66)45(73)55-27(7)42(70)62-40(28(8)65)51(79)63(9)34(24-37(54)68)50(78)64-21-18-20-33(64)47(75)61-39/h11-12,25-28,31-34,38-41,65,69H,10,13-24H2,1-9H3,(H2,52,66)(H2,53,67)(H2,54,68)(H,55,73)(H,56,74)(H,57,76)(H,58,71)(H,59,72)(H,60,77)(H,61,75)(H,62,70)/b29-11+,30-12+/t26-,27+,28+,31-,32-,33-,34-,38-,39+,40-,41+/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](CC(N)=O)NC(=O)/C(=C\C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C51H83N13O15/c1-10-13-14-15-16-17-19-26(6)39-41(69)49(77)60-38(25(4)5)48(76)57-30(12-3)44(72)59-32(23-36(53)67)46(74)56-29(11-2)43(71)58-31(22-35(52)66)45(73)55-27(7)42(70)62-40(28(8)65)51(79)63(9)34(24-37(54)68)50(78)64-21-18-20-33(64)47(75)61-39/h11-12,25-28,31-34,38-41,65,69H,10,13-24H2,1-9H3,(H2,52,66)(H2,53,67)(H2,54,68)(H,55,73)(H,56,74)(H,57,76)(H,58,71)(H,59,72)(H,60,77)(H,61,75)(H,62,70)/b29-11+,30-12+/t26-,27+,28+,31-,32-,33-,34-,38-,39+,40-,41+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:10][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][C@H:26]([CH3:6])[C@@H:39]1[C@@H:41]([OH:69])[C:49]([OH:77])=[N:60][C@@H:38]([CH:25]([CH3:4])[CH3:5])/[C:48]([OH:76])=[N:57]\[C:30](=[CH:12]\[CH3:3])\[C:44]([OH:72])=[N:59]/[C@@H:32]([CH2:23][C:36](=[NH:53])[OH:67])/[C:46]([OH:74])=[N:56]\[C:29](=[CH:11]\[CH3:2])\[C:43]([OH:71])=[N:58]/[C@@H:31]([CH2:22][C:35](=[NH:52])[OH:66])[C:45]([OH:73])=[N:55][C@H:27]([CH3:7])[C:42]([OH:70])=[N:62][C@@H:40]([C@@H:28]([CH3:8])[OH:65])[C:51](=[O:79])[N:63]([CH3:9])[C@@H:34]([CH2:24][C:37](=[NH:54])[OH:68])[C:50](=[O:78])[N:64]2[CH2:21][CH2:18][CH2:20][C@H:33]2[C:47]([OH:75])=[N:61]1 |
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