| Properties | Image |
|---|
| MNX_ID | MNXM106025 |
 |
| reference | chebi:70391 |
| formula | C45H69N5O10 |
| global charge | 0 |
| mol weight | 840.072 |
| InChIKey | AEOXIHQSVQNFCU-PCOXENEKSA-N |
| InChI | InChI=1S/C45H69N5O10/c1-14-26(4)37-43(56)49(12)32(10)45(58)59-38(27(5)15-2)30(8)35(51)23-22-29(7)44(57)60-39(28(6)16-3)40(53)46-31(9)41(54)50(13)34(24-33-20-18-17-19-21-33)42(55)48(11)25-36(52)47-37/h15,17-22,26,28,30-32,34-35,37-39,51H,14,16,23-25H2,1-13H3,(H,46,53)(H,47,52)/b27-15+,29-22+/t26-,28+,30+,31+,32+,34-,35+,37+,38+,39-/m1/s1 |
| SMILES | C/C=C(\C)[C@@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C45H69N5O10/c1-14-26(4)37-43(56)49(12)32(10)45(58)59-38(27(5)15-2)30(8)35(51)23-22-29(7)44(57)60-39(28(6)16-3)40(53)46-31(9)41(54)50(13)34(24-33-20-18-17-19-21-33)42(55)48(11)25-36(52)47-37/h15,17-22,26,28,30-32,34-35,37-39,51H,14,16,23-25H2,1-13H3,(H,46,53)(H,47,52)/b27-15+,29-22+/t26-,28+,30+,31+,32+,34-,35+,37+,38+,39-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@@H:26]([CH3:4])[C@H:37]1[C:43](=[O:56])[N:49]([CH3:12])[C@@H:32]([CH3:10])[C:45](=[O:58])[O:59][C@@H:38](/[C:27]([CH3:5])=[CH:15]/[CH3:2])[C@@H:30]([CH3:8])[C@@H:35]([OH:51])[CH2:23]/[CH:22]=[C:29](\[CH3:7])[C:44](=[O:57])[O:60][C@H:39]([C@@H:28]([CH3:6])[CH2:16][CH3:3])[C:40]([OH:53])=[N:46][C@@H:31]([CH3:9])[C:41](=[O:54])[N:50]([CH3:13])[C@H:34]([CH2:24][C:33]2=[CH:20][CH:18]=[CH:17][CH:19]=[CH:21]2)[C:42](=[O:55])[N:48]([CH3:11])[CH2:25][C:36]([OH:52])=[N:47]1 |
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