| Properties | Image |
|---|
| MNX_ID | MNXM113791 |
 |
| reference | chebi:67523 |
| formula | C30H44N4O6 |
| global charge | 0 |
| mol weight | 556.704 |
| InChIKey | SMWGFJCKWZCJNQ-QWGWBJRGSA-N |
| InChI | InChI=1S/C30H44N4O6/c1-8-19(6)26-29(38)33-25(18(4)5)30(39)40-22(15-14-21-12-10-9-11-13-21)16-23(35)32-24(17(2)3)28(37)31-20(7)27(36)34-26/h9-15,17-20,22,24-26H,8,16H2,1-7H3,(H,31,37)(H,32,35)(H,33,38)(H,34,36)/b15-14+/t19-,20+,22+,24-,25-,26-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)C[C@@H](/C=C/C2=CC=CC=C2)OC(=O)[C@H](C(C)C)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C30H44N4O6/c1-8-19(6)26-29(38)33-25(18(4)5)30(39)40-22(15-14-21-12-10-9-11-13-21)16-23(35)32-24(17(2)3)28(37)31-20(7)27(36)34-26/h9-15,17-20,22,24-26H,8,16H2,1-7H3,(H,31,37)(H,32,35)(H,33,38)(H,34,36)/b15-14+/t19-,20+,22+,24-,25-,26-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][C@H:19]([CH3:6])[C@H:26]1[C:29]([OH:38])=[N:33][C@@H:25]([CH:18]([CH3:4])[CH3:5])[C:30](=[O:39])[O:40][C@H:22](/[CH:15]=[CH:14]/[C:21]2=[CH:12][CH:10]=[CH:9][CH:11]=[CH:13]2)[CH2:16][C:23]([OH:35])=[N:32][C@@H:24]([CH:17]([CH3:2])[CH3:3])[C:28]([OH:37])=[N:31][C@H:20]([CH3:7])[C:27]([OH:36])=[N:34]1 |
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