| Properties | Image |
|---|
| MNX_ID | MNXM1100892 |
 |
| reference | metacycM:CPD-17429 |
| formula | C32H38N2O4 |
| global charge | 0 |
| mol weight | 514.666 |
| InChIKey | PSEVHIVYAHBJDR-HMIIDTQCSA-N |
| InChI | InChI=1S/C32H38N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-15,17-18,21,23,26-27,29-30,33,35,37H,8,16H2,1-4H3,(H,34,38)/b9-7+,13-12+,20-14+/t18-,21+,23-,26-,27-,29-,30+,32+/m0/s1 |
| SMILES | CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)[C@@H]3[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C32H38N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-15,17-18,21,23,26-27,29-30,33,35,37H,8,16H2,1-4H3,(H,34,38)/b9-7+,13-12+,20-14+/t18-,21+,23-,26-,27-,29-,30+,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]1[CH2:8]/[CH:7]=[CH:9]/[C@H:23]2[CH:15]=[C:19]([CH3:2])[C@@H:21]([CH3:4])[C@H:29]3[C@H:26]([CH2:16][C:22]4=[CH:17][NH:33][C:25]5=[CH:11][CH:6]=[CH:5][CH:10]=[C:24]45)[N:34]=[C:31]([OH:38])[C@@:32]23[C:28](=[O:36])/[CH:13]=[CH:12]/[C@H:27]([OH:35])[C@H:30]([OH:37])/[C:20]([CH3:3])=[CH:14]/1 |
|