| Properties | Image |
|---|
| MNX_ID | MNXM102772 |
 |
| reference | chebi:69161 |
| formula | C30H35N5O6 |
| global charge | 0 |
| mol weight | 561.639 |
| InChIKey | FADRDHDLIJSOGO-NVGWCTLGSA-N |
| InChI | InChI=1S/C30H35N5O6/c1-18(2)25(33-27(36)19(3)34-40)30(39)35-16-14-24-26(35)29(38)32-23(17-21-7-5-4-6-8-21)28(37)31-15-13-20-9-11-22(41-24)12-10-20/h4-13,15,18,23-26,40H,14,16-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/b15-13-,34-19-/t23-,24-,25-,26-/m0/s1 |
| SMILES | C/C(=N/O)C(=O)N[C@H](C(=O)N1CC[C@@H]2OC3=CC=C(C=C3)/C=C\NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]21)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C30H35N5O6/c1-18(2)25(33-27(36)19(3)34-40)30(39)35-16-14-24-26(35)29(38)32-23(17-21-7-5-4-6-8-21)28(37)31-15-13-20-9-11-22(41-24)12-10-20/h4-13,15,18,23-26,40H,14,16-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/b15-13-,34-19-/t23-,24-,25-,26-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[C@@H:25]([C:30]([N:35]1[CH2:16][CH2:14][C@H:24]2[C@H:26]1[C:29]([OH:38])=[N:32][C@@H:23]([CH2:17][C:21]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)/[C:28]([OH:37])=[N:31]\[CH:15]=[CH:13]/[C:20]1=[CH:9][CH:11]=[C:22]([CH:12]=[CH:10]1)[O:41]2)=[O:39])/[N:33]=[C:27]([C:19](/[CH3:3])=[N:34]\[OH:40])\[OH:36] |
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