| Properties | Image |
|---|
| MNX_ID | MNXM103685 |
 |
| reference | chebi:68733 |
| formula | C32H36N2O5 |
| global charge | 0 |
| mol weight | 528.649 |
| InChIKey | MRENMDHAGXAXRK-QFHPAQOTSA-N |
| InChI | InChI=1S/C32H36N2O5/c1-15-8-7-10-21-29-31(4,39-29)17(3)26-23(12-18-14-33-22-11-6-5-9-19(18)22)34-30(38)32(21,26)24(35)13-20-25(15)16(2)27(36)28(20)37/h5-7,9-11,14-15,17,20-21,23,25-26,29,33,36H,8,12-13H2,1-4H3,(H,34,38)/b10-7+/t15-,17-,20+,21-,23-,25-,26-,29-,31+,32+/m0/s1 |
| SMILES | CC1=C(O)C(=O)[C@@H]2CC(=O)[C@@]34C(=O)N[C@@H](CC5=CNC6=CC=CC=C56)[C@@H]3[C@H](C)[C@@]3(C)O[C@H]3[C@@H]4/C=C/C[C@H](C)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C32H36N2O5/c1-15-8-7-10-21-29-31(4,39-29)17(3)26-23(12-18-14-33-22-11-6-5-9-19(18)22)34-30(38)32(21,26)24(35)13-20-25(15)16(2)27(36)28(20)37/h5-7,9-11,14-15,17,20-21,23,25-26,29,33,36H,8,12-13H2,1-4H3,(H,34,38)/b10-7+/t15-,17-,20+,21-,23-,25-,26-,29-,31+,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]1[CH2:8]/[CH:7]=[CH:10]/[C@H:21]2[C@H:29]3[C@@:31]([CH3:4])([C@@H:17]([CH3:3])[C@H:26]4[C@H:23]([CH2:12][C:18]5=[CH:14][NH:33][C:22]6=[CH:11][CH:6]=[CH:5][CH:9]=[C:19]56)[N:34]=[C:30]([OH:38])[C@@:32]24[C:24](=[O:35])[CH2:13][C@@H:20]2[C@@H:25]1[C:16]([CH3:2])=[C:27]([OH:36])[C:28]2=[O:37])[O:39]3 |
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