| Properties | Image |
|---|
| MNX_ID | MNXM108762 |
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| reference | chebi:70589 |
| formula | C36H56N8O9 |
| global charge | 0 |
| mol weight | 744.891 |
| InChIKey | HJKXQQVDTIEFDD-FAVUQDIBSA-N |
| InChI | InChI=1S/C36H56N8O9/c1-7-21(6)31-36(53)42-27(18-45)34(51)43-30(20(4)5)35(52)40-23(14-19(2)3)16-38-26(15-22-8-10-24(46)11-9-22)32(49)39-17-29(48)41-25(33(50)44-31)12-13-28(37)47/h8-11,16,19-21,23,25-27,30-31,45-46H,7,12-15,17-18H2,1-6H3,(H2,37,47)(H,39,49)(H,40,52)(H,41,48)(H,42,53)(H,43,51)(H,44,50)/b38-16-/t21-,23-,25+,26-,27-,30-,31-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC2=CC=C(O)C=C2)/N=C\[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C36H56N8O9/c1-7-21(6)31-36(53)42-27(18-45)34(51)43-30(20(4)5)35(52)40-23(14-19(2)3)16-38-26(15-22-8-10-24(46)11-9-22)32(49)39-17-29(48)41-25(33(50)44-31)12-13-28(37)47/h8-11,16,19-21,23,25-27,30-31,45-46H,7,12-15,17-18H2,1-6H3,(H2,37,47)(H,39,49)(H,40,52)(H,41,48)(H,42,53)(H,43,51)(H,44,50)/b38-16-/t21-,23-,25+,26-,27-,30-,31-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][C@H:21]([CH3:6])[C@H:31]1[C:36]([OH:53])=[N:42][C@@H:27]([CH2:18][OH:45])[C:34]([OH:51])=[N:43][C@@H:30]([CH:20]([CH3:4])[CH3:5])[C:35]([OH:52])=[N:40][C@@H:23]([CH2:14][CH:19]([CH3:2])[CH3:3])/[CH:16]=[N:38]\[C@@H:26]([CH2:15][C:22]2=[CH:9][CH:11]=[C:24]([OH:46])[CH:10]=[CH:8]2)[C:32]([OH:49])=[N:39][CH2:17][C:29]([OH:48])=[N:41][C@H:25]([CH2:12][CH2:13][C:28](=[NH:37])[OH:47])[C:33]([OH:50])=[N:44]1 |
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