| Properties | Image |
| MNX_ID | MNXM173906 |
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| reference | chebi:96530 |
| formula | C20H35N5O3 |
| global charge | 0 |
| mol weight | 393.532 |
| InChIKey | BJEAXWIUXBEVDX-FRQCXROJSA-N |
| InChI | InChI=1S/C20H35N5O3/c1-15-10-24(16(2)13-26)20(27)5-4-8-25-18(9-21-22-25)14-28-19(15)12-23(3)11-17-6-7-17/h9,15-17,19,26H,4-8,10-14H2,1-3H3/t15-,16+,19+/m0/s1 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)OCC2=CN=NN2CCCC1=O |
MNX internals
| InChI (mnx) | InChI=1/C20H35N5O3/c1-15-10-24(16(2)13-26)20(27)5-4-8-25-18(9-21-22-25)14-28-19(15)12-23(3)11-17-6-7-17/h9,15-17,19,26H,4-8,10-14H2,1-3H3/t15-,16+,19+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:15]1[CH2:10][N:24]([C@H:16]([CH3:2])[CH2:13][OH:26])[C:20](=[O:27])[CH2:5][CH2:4][CH2:8][N:25]2[C:18](=[CH:9][N:21]=[N:22]2)[CH2:14][O:28][C@@H:19]1[CH2:12][N:23]([CH3:3])[CH2:11][CH:17]1[CH2:6][CH2:7]1 |
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